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/Hackaton-e9304ce1/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Hackaton-e9304ce1/inputs/seq.fa: 1 curr_seq: _GGACUUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGACUUG 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 7 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: 40 n_atoms_counter: 40 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 7.000000 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/Hackaton-e9304ce1/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Hackaton-e9304ce1/inputs/seq.fa: 1 curr_seq: _GGACUUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGACUUG 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 7 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: 40 n_atoms_counter: 40 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 7.000000 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/Hackaton-e9304ce1/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Hackaton-e9304ce1/inputs/seq.fa: 1 curr_seq: _GGACUUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGACUUG 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 7 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: 40 n_atoms_counter: 40 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 7.000000 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/Hackaton-e9304ce1/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Hackaton-e9304ce1/inputs/seq.fa: 1 curr_seq: _GGACUUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGACUUG 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 7 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: 40 n_atoms_counter: 40 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 7.000000 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/Hackaton-e9304ce1/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Hackaton-e9304ce1/inputs/seq.fa: 1 curr_seq: _GGACUUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGACUUG 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 7 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: 40 n_atoms_counter: 40 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 7.000000 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/Hackaton-e9304ce1/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Hackaton-e9304ce1/inputs/seq.fa: 1 curr_seq: _GGACUUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGACUUG 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 7 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: 40 n_atoms_counter: 40 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 7.000000 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/Hackaton-e9304ce1/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Hackaton-e9304ce1/inputs/seq.fa: 1 curr_seq: _GGACUUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGACUUG 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 7 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: 40 n_atoms_counter: 40 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 7.000000 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/Hackaton-e9304ce1/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Hackaton-e9304ce1/inputs/seq.fa: 1 curr_seq: _GGACUUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGACUUG 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 7 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: 40 n_atoms_counter: 40 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 7.000000 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/Hackaton-e9304ce1/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Hackaton-e9304ce1/inputs/seq.fa: 1 curr_seq: _GGACUUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGACUUG 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 7 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: 40 n_atoms_counter: 40 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 7.000000 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/Hackaton-e9304ce1/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Hackaton-e9304ce1/inputs/seq.fa: 1 curr_seq: _GGACUUG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGACUUG 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 7 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: 40 n_atoms_counter: 40 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 7.000000 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: -23.962122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.962122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.962122 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.961949 where: bonds (distance) C4'-P energy: -6.801 bonds (distance) P-C4' energy: -7.157 flat angles C4'-P-C4' energy: -5.140 flat angles P-C4'-P energy: -5.879 tors. eta vs tors. theta energy: 1.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -23.962122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.962122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.962122 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.961949 where: bonds (distance) C4'-P energy: -6.801 bonds (distance) P-C4' energy: -7.157 flat angles C4'-P-C4' energy: -5.140 flat angles P-C4'-P energy: -5.879 tors. eta vs tors. theta energy: 1.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -23.962122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.962122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.962122 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.961949 where: bonds (distance) C4'-P energy: -6.801 bonds (distance) P-C4' energy: -7.157 flat angles C4'-P-C4' energy: -5.140 flat angles P-C4'-P energy: -5.879 tors. eta vs tors. theta energy: 1.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -23.962122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.962122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.962122 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.961949 where: bonds (distance) C4'-P energy: -6.801 bonds (distance) P-C4' energy: -7.157 flat angles C4'-P-C4' energy: -5.140 flat angles P-C4'-P energy: -5.879 tors. eta vs tors. theta energy: 1.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -23.962122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.962122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.962122 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.961949 where: bonds (distance) C4'-P energy: -6.801 bonds (distance) P-C4' energy: -7.157 flat angles C4'-P-C4' energy: -5.140 flat angles P-C4'-P energy: -5.879 tors. eta vs tors. theta energy: 1.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -23.962122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.962122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.962122 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.961949 where: bonds (distance) C4'-P energy: -6.801 bonds (distance) P-C4' energy: -7.157 flat angles C4'-P-C4' energy: -5.140 flat angles P-C4'-P energy: -5.879 tors. eta vs tors. theta energy: 1.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -23.962122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.962122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.962122 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.961949 where: bonds (distance) C4'-P energy: -6.801 bonds (distance) P-C4' energy: -7.157 flat angles C4'-P-C4' energy: -5.140 flat angles P-C4'-P energy: -5.879 tors. eta vs tors. theta energy: 1.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -23.962122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.962122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.962122 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.961949 where: bonds (distance) C4'-P energy: -6.801 bonds (distance) P-C4' energy: -7.157 flat angles C4'-P-C4' energy: -5.140 flat angles P-C4'-P energy: -5.879 tors. eta vs tors. theta energy: 1.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -23.962122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.962122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.962122 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.961949 where: bonds (distance) C4'-P energy: -6.801 bonds (distance) P-C4' energy: -7.157 flat angles C4'-P-C4' energy: -5.140 flat angles P-C4'-P energy: -5.879 tors. eta vs tors. theta energy: 1.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -23.962122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.962122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.962122 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -23.961949 where: bonds (distance) C4'-P energy: -6.801 bonds (distance) P-C4' energy: -7.157 flat angles C4'-P-C4' energy: -5.140 flat angles P-C4'-P energy: -5.879 tors. eta vs tors. theta energy: 1.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -44.444350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.444350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.444350 (E_RNA) where: Base-Base interactions energy: -17.374 where: short stacking energy: -17.374 Base-Backbone interact. energy: -0.000 local terms energy: -27.069788 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -5.527 flat angles P-C4'-P energy: -4.458 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: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -55.806546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.806546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.806546 (E_RNA) where: Base-Base interactions energy: -31.167 where: short stacking energy: -18.026 Base-Backbone interact. energy: -0.035 local terms energy: -24.604745 where: bonds (distance) C4'-P energy: -5.393 bonds (distance) P-C4' energy: -5.279 flat angles C4'-P-C4' energy: -5.887 flat angles P-C4'-P energy: -4.794 tors. eta vs tors. theta energy: -3.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -41.438537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.438537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.438537 (E_RNA) where: Base-Base interactions energy: -17.921 where: short stacking energy: -17.921 Base-Backbone interact. energy: -0.000 local terms energy: -23.517058 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -2.669 flat angles P-C4'-P energy: -4.236 tors. eta vs tors. theta energy: -4.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -46.327662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.327662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.327662 (E_RNA) where: Base-Base interactions energy: -20.673 where: short stacking energy: -20.673 Base-Backbone interact. energy: -0.001 local terms energy: -25.653878 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -6.063 flat angles P-C4'-P energy: -3.559 tors. eta vs tors. theta energy: -4.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -46.734085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.734085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.734085 (E_RNA) where: Base-Base interactions energy: -20.945 where: short stacking energy: -20.945 Base-Backbone interact. energy: -0.000 local terms energy: -25.789278 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -6.091 flat angles P-C4'-P energy: -3.125 tors. eta vs tors. theta energy: -5.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -37.620487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.620487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.620487 (E_RNA) where: Base-Base interactions energy: -18.750 where: short stacking energy: -16.480 Base-Backbone interact. energy: -0.093 local terms energy: -18.777445 where: bonds (distance) C4'-P energy: -2.562 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -5.608 flat angles P-C4'-P energy: -2.032 tors. eta vs tors. theta energy: -3.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -36.748922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.748922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.748922 (E_RNA) where: Base-Base interactions energy: -14.386 where: short stacking energy: -9.712 Base-Backbone interact. energy: -0.019 local terms energy: -22.343824 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -4.534 flat angles P-C4'-P energy: -3.081 tors. eta vs tors. theta energy: -1.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -34.576131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.576131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.576131 (E_RNA) where: Base-Base interactions energy: -16.330 where: short stacking energy: -16.330 Base-Backbone interact. energy: -0.023 local terms energy: -18.222841 where: bonds (distance) C4'-P energy: -3.042 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -2.380 flat angles P-C4'-P energy: -3.835 tors. eta vs tors. theta energy: -4.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -39.381458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.381458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.381458 (E_RNA) where: Base-Base interactions energy: -19.039 where: short stacking energy: -19.039 Base-Backbone interact. energy: -0.000 local terms energy: -20.342045 where: bonds (distance) C4'-P energy: -2.885 bonds (distance) P-C4' energy: -2.063 flat angles C4'-P-C4' energy: -5.833 flat angles P-C4'-P energy: -2.832 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: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -27.673851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.673851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.673851 (E_RNA) where: Base-Base interactions energy: -11.280 where: short stacking energy: -2.105 Base-Backbone interact. energy: -0.417 local terms energy: -15.977551 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -5.916 flat angles C4'-P-C4' energy: -4.339 flat angles P-C4'-P energy: -2.476 tors. eta vs tors. theta energy: 1.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -54.844719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.844719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.844719 (E_RNA) where: Base-Base interactions energy: -32.213 where: short stacking energy: -13.112 Base-Backbone interact. energy: -0.003 local terms energy: -22.628665 where: bonds (distance) C4'-P energy: -4.761 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -1.427 flat angles P-C4'-P energy: -4.747 tors. eta vs tors. theta energy: -5.470 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: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -52.065875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.065875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.065875 (E_RNA) where: Base-Base interactions energy: -22.886 where: short stacking energy: -22.886 Base-Backbone interact. energy: -0.000 local terms energy: -29.179641 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.980 flat angles P-C4'-P energy: -4.499 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: 3, replica: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -51.756723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.756723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.756723 (E_RNA) where: Base-Base interactions energy: -29.564 where: short stacking energy: -13.779 Base-Backbone interact. energy: 0.057 local terms energy: -22.249743 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -3.028 flat angles C4'-P-C4' energy: -5.890 flat angles P-C4'-P energy: -4.321 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: 4, replica: 5 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -42.651505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.651505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.651505 (E_RNA) where: Base-Base interactions energy: -19.995 where: short stacking energy: -19.995 Base-Backbone interact. energy: -0.000 local terms energy: -22.656227 where: bonds (distance) C4'-P energy: -4.699 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.583 flat angles P-C4'-P energy: -2.732 tors. eta vs tors. theta energy: -3.974 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: 3 Temperature: 1.100000 Total energy: -42.252963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.252963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.252963 (E_RNA) where: Base-Base interactions energy: -17.092 where: short stacking energy: -17.092 Base-Backbone interact. energy: -0.000 local terms energy: -25.161082 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -4.248 flat angles P-C4'-P energy: -4.252 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: 6, replica: 6 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -39.630408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.630408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.630408 (E_RNA) where: Base-Base interactions energy: -22.514 where: short stacking energy: -11.886 Base-Backbone interact. energy: -0.004 local terms energy: -17.112388 where: bonds (distance) C4'-P energy: -3.750 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.918 flat angles P-C4'-P energy: -0.680 tors. eta vs tors. theta energy: -2.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -34.601987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.601987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.601987 (E_RNA) where: Base-Base interactions energy: -13.234 where: short stacking energy: -13.234 Base-Backbone interact. energy: -0.000 local terms energy: -21.367515 where: bonds (distance) C4'-P energy: -5.394 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.561 flat angles P-C4'-P energy: -1.972 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: 8 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -34.558461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.558461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.558461 (E_RNA) where: Base-Base interactions energy: -13.843 where: short stacking energy: -13.843 Base-Backbone interact. energy: -0.085 local terms energy: -20.630359 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -3.711 flat angles C4'-P-C4' energy: -6.217 flat angles P-C4'-P energy: -3.868 tors. eta vs tors. theta energy: -1.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -36.190565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.190565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.190565 (E_RNA) where: Base-Base interactions energy: -13.754 where: short stacking energy: -13.754 Base-Backbone interact. energy: -0.100 local terms energy: -22.336920 where: bonds (distance) C4'-P energy: -5.277 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.354 flat angles P-C4'-P energy: -5.534 tors. eta vs tors. theta energy: -0.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -32.920173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.920173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.920173 (E_RNA) where: Base-Base interactions energy: -14.670 where: short stacking energy: -14.670 Base-Backbone interact. energy: -0.001 local terms energy: -18.249610 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -3.989 flat angles P-C4'-P energy: 2.735 tors. eta vs tors. theta energy: -6.239 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: 4 Temperature: 0.900000 Total energy: -45.925969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.925969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.925969 (E_RNA) where: Base-Base interactions energy: -21.701 where: short stacking energy: -21.701 Base-Backbone interact. energy: -0.000 local terms energy: -24.225436 where: bonds (distance) C4'-P energy: -4.832 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -5.014 flat angles P-C4'-P energy: -4.496 tors. eta vs tors. theta energy: -4.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -44.430796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.430796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.430796 (E_RNA) where: Base-Base interactions energy: -25.372 where: short stacking energy: -11.196 Base-Backbone interact. energy: -0.014 local terms energy: -19.044573 where: bonds (distance) C4'-P energy: -4.533 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.239 flat angles P-C4'-P energy: -4.743 tors. eta vs tors. theta energy: -0.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -44.145981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.145981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.145981 (E_RNA) where: Base-Base interactions energy: -19.016 where: short stacking energy: -19.016 Base-Backbone interact. energy: -0.001 local terms energy: -25.129797 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -4.200 flat angles P-C4'-P energy: -3.162 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: 4, replica: 3 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -41.530773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.530773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.530773 (E_RNA) where: Base-Base interactions energy: -19.786 where: short stacking energy: -10.542 Base-Backbone interact. energy: -0.562 local terms energy: -21.181843 where: bonds (distance) C4'-P energy: -4.570 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -2.826 flat angles P-C4'-P energy: -3.955 tors. eta vs tors. theta energy: -3.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -46.877830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.877830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.877830 (E_RNA) where: Base-Base interactions energy: -19.617 where: short stacking energy: -19.617 Base-Backbone interact. energy: -0.000 local terms energy: -27.260982 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.454 flat angles P-C4'-P energy: -4.628 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: 6, replica: 4 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -35.027110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.027110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.027110 (E_RNA) where: Base-Base interactions energy: -10.756 where: short stacking energy: -10.756 Base-Backbone interact. energy: -0.000 local terms energy: -24.271212 where: bonds (distance) C4'-P energy: -4.383 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.269 flat angles P-C4'-P energy: -4.491 tors. eta vs tors. theta energy: -4.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -41.167274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.167274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.167274 (E_RNA) where: Base-Base interactions energy: -16.718 where: short stacking energy: -16.718 Base-Backbone interact. energy: -0.003 local terms energy: -24.446350 where: bonds (distance) C4'-P energy: -5.543 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.637 flat angles P-C4'-P energy: -3.734 tors. eta vs tors. theta energy: -4.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -47.384782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.384782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.384782 (E_RNA) where: Base-Base interactions energy: -20.668 where: short stacking energy: -20.668 Base-Backbone interact. energy: -0.000 local terms energy: -26.716075 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.641 flat angles P-C4'-P energy: -4.703 tors. eta vs tors. theta energy: -5.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -29.571976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.571976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.571976 (E_RNA) where: Base-Base interactions energy: -11.012 where: short stacking energy: -8.532 Base-Backbone interact. energy: -0.090 local terms energy: -18.470039 where: bonds (distance) C4'-P energy: -4.797 bonds (distance) P-C4' energy: -5.945 flat angles C4'-P-C4' energy: -5.992 flat angles P-C4'-P energy: -3.126 tors. eta vs tors. theta energy: 1.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -34.461250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.461250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.461250 (E_RNA) where: Base-Base interactions energy: -14.281 where: short stacking energy: -14.281 Base-Backbone interact. energy: -0.081 local terms energy: -20.098663 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -5.391 flat angles P-C4'-P energy: -3.529 tors. eta vs tors. theta energy: -0.180 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: 2 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -42.980574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.980574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.980574 (E_RNA) where: Base-Base interactions energy: -18.497 where: short stacking energy: -18.497 Base-Backbone interact. energy: -0.021 local terms energy: -24.462324 where: bonds (distance) C4'-P energy: -5.393 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.262 flat angles P-C4'-P energy: -4.186 tors. eta vs tors. theta energy: -2.713 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: 5 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -48.718510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.718510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.718510 (E_RNA) where: Base-Base interactions energy: -24.155 where: short stacking energy: -24.155 Base-Backbone interact. energy: -0.000 local terms energy: -24.563368 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -4.954 flat angles P-C4'-P energy: -1.889 tors. eta vs tors. theta energy: -5.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -41.126520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.126520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.126520 (E_RNA) where: Base-Base interactions energy: -16.643 where: short stacking energy: -16.643 Base-Backbone interact. energy: -0.077 local terms energy: -24.406549 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -3.990 flat angles P-C4'-P energy: -3.632 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: 4, replica: 3 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -42.423915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.423915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.423915 (E_RNA) where: Base-Base interactions energy: -23.093 where: short stacking energy: -14.962 Base-Backbone interact. energy: -0.018 local terms energy: -19.313378 where: bonds (distance) C4'-P energy: -4.921 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -4.941 flat angles P-C4'-P energy: -2.641 tors. eta vs tors. theta energy: -2.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -40.016689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.016689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.016689 (E_RNA) where: Base-Base interactions energy: -20.438 where: short stacking energy: -20.438 Base-Backbone interact. energy: -0.000 local terms energy: -19.578182 where: bonds (distance) C4'-P energy: -3.282 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.138 flat angles P-C4'-P energy: -4.169 tors. eta vs tors. theta energy: -4.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -40.041464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.041464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.041464 (E_RNA) where: Base-Base interactions energy: -14.591 where: short stacking energy: -14.591 Base-Backbone interact. energy: -0.009 local terms energy: -25.440934 where: bonds (distance) C4'-P energy: -3.734 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -6.142 flat angles P-C4'-P energy: -4.913 tors. eta vs tors. theta energy: -4.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -35.886907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.886907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.886907 (E_RNA) where: Base-Base interactions energy: -14.576 where: short stacking energy: -14.576 Base-Backbone interact. energy: -0.008 local terms energy: -21.303353 where: bonds (distance) C4'-P energy: -4.980 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -5.492 flat angles P-C4'-P energy: -3.474 tors. eta vs tors. theta energy: -2.239 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: 8, replica: 10 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -39.327281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.327281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.327281 (E_RNA) where: Base-Base interactions energy: -14.918 where: short stacking energy: -11.766 Base-Backbone interact. energy: -0.006 local terms energy: -24.403742 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -5.469 flat angles C4'-P-C4' energy: -5.851 flat angles P-C4'-P energy: -4.339 tors. eta vs tors. theta energy: -2.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -39.169434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.169434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.169434 (E_RNA) where: Base-Base interactions energy: -18.720 where: short stacking energy: -18.720 Base-Backbone interact. energy: -0.000 local terms energy: -20.449046 where: bonds (distance) C4'-P energy: -5.737 bonds (distance) P-C4' energy: -3.656 flat angles C4'-P-C4' energy: -4.939 flat angles P-C4'-P energy: -3.187 tors. eta vs tors. theta energy: -2.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -31.896175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.896175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.896175 (E_RNA) where: Base-Base interactions energy: -11.156 where: short stacking energy: -11.156 Base-Backbone interact. energy: -0.003 local terms energy: -20.737040 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -4.917 flat angles C4'-P-C4' energy: -6.203 flat angles P-C4'-P energy: -3.218 tors. eta vs tors. theta energy: -0.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -52.139421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.139421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.139421 (E_RNA) where: Base-Base interactions energy: -23.794 where: short stacking energy: -23.794 Base-Backbone interact. energy: -0.000 local terms energy: -28.345636 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -5.916 flat angles C4'-P-C4' energy: -5.906 flat angles P-C4'-P energy: -3.985 tors. eta vs tors. theta energy: -7.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -37.745506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.745506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.745506 (E_RNA) where: Base-Base interactions energy: -17.390 where: short stacking energy: -16.313 Base-Backbone interact. energy: -0.108 local terms energy: -20.247471 where: bonds (distance) C4'-P energy: -2.951 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -5.811 flat angles P-C4'-P energy: -3.015 tors. eta vs tors. theta energy: -2.290 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: 3, replica: 3 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -52.199482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.199482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.199482 (E_RNA) where: Base-Base interactions energy: -25.827 where: short stacking energy: -25.827 Base-Backbone interact. energy: -0.000 local terms energy: -26.372675 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -4.793 flat angles C4'-P-C4' energy: -4.342 flat angles P-C4'-P energy: -4.635 tors. eta vs tors. theta energy: -7.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -42.253127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.253127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.253127 (E_RNA) where: Base-Base interactions energy: -16.570 where: short stacking energy: -13.746 Base-Backbone interact. energy: -0.999 local terms energy: -24.684181 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -4.266 flat angles P-C4'-P energy: -4.185 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: 5, replica: 8 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -42.771161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.771161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.771161 (E_RNA) where: Base-Base interactions energy: -17.061 where: short stacking energy: -17.061 Base-Backbone interact. energy: -0.000 local terms energy: -25.709498 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -6.017 flat angles P-C4'-P energy: -4.481 tors. eta vs tors. theta energy: -3.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -40.138351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.138351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.138351 (E_RNA) where: Base-Base interactions energy: -17.628 where: short stacking energy: -17.628 Base-Backbone interact. energy: -0.066 local terms energy: -22.444617 where: bonds (distance) C4'-P energy: -4.985 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -5.979 flat angles P-C4'-P energy: -3.937 tors. eta vs tors. theta energy: -2.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -35.422109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.422109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.422109 (E_RNA) where: Base-Base interactions energy: -10.882 where: short stacking energy: -10.882 Base-Backbone interact. energy: -0.004 local terms energy: -24.535735 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -4.936 flat angles P-C4'-P energy: -4.598 tors. eta vs tors. theta energy: -2.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -37.278930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.278930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.278930 (E_RNA) where: Base-Base interactions energy: -15.476 where: short stacking energy: -15.476 Base-Backbone interact. energy: -0.061 local terms energy: -21.742016 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.047 flat angles P-C4'-P energy: -4.072 tors. eta vs tors. theta energy: -0.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -35.332295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.332295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.332295 (E_RNA) where: Base-Base interactions energy: -18.554 where: short stacking energy: -18.554 Base-Backbone interact. energy: -0.010 local terms energy: -16.768625 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -2.306 flat angles C4'-P-C4' energy: -4.772 flat angles P-C4'-P energy: -2.465 tors. eta vs tors. theta energy: -2.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -31.527504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.527504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.527504 (E_RNA) where: Base-Base interactions energy: -12.720 where: short stacking energy: -12.720 Base-Backbone interact. energy: -0.000 local terms energy: -18.807045 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -2.824 flat angles C4'-P-C4' energy: -4.666 flat angles P-C4'-P energy: -3.498 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: 1, replica: 5 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -54.539548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.539548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.539548 (E_RNA) where: Base-Base interactions energy: -24.290 where: short stacking energy: -24.290 Base-Backbone interact. energy: -0.000 local terms energy: -30.249218 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.873 flat angles P-C4'-P energy: -4.571 tors. eta vs tors. theta energy: -6.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -50.492366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.492366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.492366 (E_RNA) where: Base-Base interactions energy: -23.674 where: short stacking energy: -23.674 Base-Backbone interact. energy: -0.000 local terms energy: -26.818040 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.930 flat angles P-C4'-P energy: -3.874 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: 3, replica: 2 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -44.965739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.965739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.965739 (E_RNA) where: Base-Base interactions energy: -18.855 where: short stacking energy: -18.855 Base-Backbone interact. energy: -0.000 local terms energy: -26.110593 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.275 flat angles P-C4'-P energy: -2.795 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: 4, replica: 8 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -40.366277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.366277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.366277 (E_RNA) where: Base-Base interactions energy: -16.141 where: short stacking energy: -13.023 Base-Backbone interact. energy: -0.000 local terms energy: -24.225214 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -4.268 flat angles P-C4'-P energy: -4.084 tors. eta vs tors. theta energy: -3.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -44.617730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.617730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.617730 (E_RNA) where: Base-Base interactions energy: -22.746 where: short stacking energy: -17.621 Base-Backbone interact. energy: -0.007 local terms energy: -21.864534 where: bonds (distance) C4'-P energy: -4.959 bonds (distance) P-C4' energy: -5.107 flat angles C4'-P-C4' energy: -6.189 flat angles P-C4'-P energy: -2.111 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: 6, replica: 10 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -49.003099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.003099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.003099 (E_RNA) where: Base-Base interactions energy: -21.292 where: short stacking energy: -21.292 Base-Backbone interact. energy: -0.000 local terms energy: -27.711205 where: bonds (distance) C4'-P energy: -4.629 bonds (distance) P-C4' energy: -7.147 flat angles C4'-P-C4' energy: -5.652 flat angles P-C4'-P energy: -2.747 tors. eta vs tors. theta energy: -7.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -33.067756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.067756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.067756 (E_RNA) where: Base-Base interactions energy: -9.298 where: short stacking energy: -9.298 Base-Backbone interact. energy: -0.081 local terms energy: -23.689061 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.262 flat angles P-C4'-P energy: -5.269 tors. eta vs tors. theta energy: -1.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -36.208676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.208676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.208676 (E_RNA) where: Base-Base interactions energy: -15.330 where: short stacking energy: -15.330 Base-Backbone interact. energy: -0.000 local terms energy: -20.878105 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.048 flat angles P-C4'-P energy: -0.086 tors. eta vs tors. theta energy: -3.631 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: 4 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -29.336387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.336387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.336387 (E_RNA) where: Base-Base interactions energy: -8.604 where: short stacking energy: -4.181 Base-Backbone interact. energy: -0.050 local terms energy: -20.682663 where: bonds (distance) C4'-P energy: -5.393 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -4.552 flat angles P-C4'-P energy: -3.923 tors. eta vs tors. theta energy: -0.193 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: 7 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -33.174886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.174886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.174886 (E_RNA) where: Base-Base interactions energy: -10.478 where: short stacking energy: -8.704 Base-Backbone interact. energy: -0.379 local terms energy: -22.318216 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -6.766 flat angles P-C4'-P energy: -4.624 tors. eta vs tors. theta energy: -0.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -47.415265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.415265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.415265 (E_RNA) where: Base-Base interactions energy: -22.328 where: short stacking energy: -22.328 Base-Backbone interact. energy: -0.000 local terms energy: -25.087363 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -5.712 flat angles P-C4'-P energy: -5.134 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: 2, replica: 5 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -43.829669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.829669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.829669 (E_RNA) where: Base-Base interactions energy: -24.633 where: short stacking energy: -12.174 Base-Backbone interact. energy: -0.002 local terms energy: -19.194972 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -3.289 flat angles P-C4'-P energy: -0.889 tors. eta vs tors. theta energy: -2.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -52.243010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.243010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.243010 (E_RNA) where: Base-Base interactions energy: -22.390 where: short stacking energy: -22.390 Base-Backbone interact. energy: -0.000 local terms energy: -29.853255 where: bonds (distance) C4'-P energy: -4.753 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.343 flat angles P-C4'-P energy: -4.805 tors. eta vs tors. theta energy: -7.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -45.484197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.484197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.484197 (E_RNA) where: Base-Base interactions energy: -19.869 where: short stacking energy: -10.557 Base-Backbone interact. energy: -0.000 local terms energy: -25.614635 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -5.466 flat angles C4'-P-C4' energy: -3.707 flat angles P-C4'-P energy: -5.478 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: 5, replica: 1 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -42.204456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.204456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.204456 (E_RNA) where: Base-Base interactions energy: -17.118 where: short stacking energy: -17.118 Base-Backbone interact. energy: -0.000 local terms energy: -25.086575 where: bonds (distance) C4'-P energy: -6.362 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -4.547 flat angles P-C4'-P energy: -4.718 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: 6, replica: 10 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -37.208750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.208750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.208750 (E_RNA) where: Base-Base interactions energy: -12.354 where: short stacking energy: -12.354 Base-Backbone interact. energy: -0.004 local terms energy: -24.850205 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -5.429 flat angles C4'-P-C4' energy: -6.420 flat angles P-C4'-P energy: -5.088 tors. eta vs tors. theta energy: -2.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -33.856372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.856372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.856372 (E_RNA) where: Base-Base interactions energy: -14.529 where: short stacking energy: -14.529 Base-Backbone interact. energy: -0.085 local terms energy: -19.242578 where: bonds (distance) C4'-P energy: -3.779 bonds (distance) P-C4' energy: -3.675 flat angles C4'-P-C4' energy: -4.973 flat angles P-C4'-P energy: -3.360 tors. eta vs tors. theta energy: -3.455 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: 6 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -33.303985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.303985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.303985 (E_RNA) where: Base-Base interactions energy: -16.994 where: short stacking energy: -16.994 Base-Backbone interact. energy: -0.000 local terms energy: -16.310411 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -1.413 flat angles P-C4'-P energy: -2.702 tors. eta vs tors. theta energy: -1.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -38.016170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.016170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.016170 (E_RNA) where: Base-Base interactions energy: -17.132 where: short stacking energy: -17.132 Base-Backbone interact. energy: -0.000 local terms energy: -20.884054 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -5.143 flat angles C4'-P-C4' energy: -5.559 flat angles P-C4'-P energy: -1.288 tors. eta vs tors. theta energy: -3.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -30.094836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.094836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.094836 (E_RNA) where: Base-Base interactions energy: -14.688 where: short stacking energy: -14.688 Base-Backbone interact. energy: -0.031 local terms energy: -15.375943 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -4.794 flat angles P-C4'-P energy: 3.024 tors. eta vs tors. theta energy: -2.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -45.324841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.324841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.324841 (E_RNA) where: Base-Base interactions energy: -19.432 where: short stacking energy: -15.077 Base-Backbone interact. energy: -1.054 local terms energy: -24.839308 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -4.851 flat angles P-C4'-P energy: -5.212 tors. eta vs tors. theta energy: -2.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -50.839520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.839520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.839520 (E_RNA) where: Base-Base interactions energy: -24.916 where: short stacking energy: -24.916 Base-Backbone interact. energy: -0.000 local terms energy: -25.923630 where: bonds (distance) C4'-P energy: -3.018 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.260 flat angles P-C4'-P energy: -4.389 tors. eta vs tors. theta energy: -6.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -45.553372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.553372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.553372 (E_RNA) where: Base-Base interactions energy: -24.500 where: short stacking energy: -11.875 Base-Backbone interact. energy: -0.002 local terms energy: -21.051478 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -4.758 flat angles P-C4'-P energy: -2.103 tors. eta vs tors. theta energy: -1.895 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: 1 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -51.319335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.319335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.319335 (E_RNA) where: Base-Base interactions energy: -34.148 where: short stacking energy: -13.737 Base-Backbone interact. energy: -0.002 local terms energy: -17.169258 where: bonds (distance) C4'-P energy: -4.678 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.134 flat angles P-C4'-P energy: -0.884 tors. eta vs tors. theta energy: -0.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -41.501815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.501815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.501815 (E_RNA) where: Base-Base interactions energy: -16.399 where: short stacking energy: -12.827 Base-Backbone interact. energy: -0.043 local terms energy: -25.059756 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -6.131 flat angles P-C4'-P energy: -3.280 tors. eta vs tors. theta energy: -4.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -45.145990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.145990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.145990 (E_RNA) where: Base-Base interactions energy: -19.957 where: short stacking energy: -19.957 Base-Backbone interact. energy: -0.000 local terms energy: -25.189259 where: bonds (distance) C4'-P energy: -4.619 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.441 flat angles P-C4'-P energy: -2.947 tors. eta vs tors. theta energy: -5.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -35.058596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.058596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.058596 (E_RNA) where: Base-Base interactions energy: -12.855 where: short stacking energy: -12.760 Base-Backbone interact. energy: -0.105 local terms energy: -22.099227 where: bonds (distance) C4'-P energy: -3.646 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -5.759 flat angles P-C4'-P energy: -5.109 tors. eta vs tors. theta energy: -2.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -36.432543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.432543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.432543 (E_RNA) where: Base-Base interactions energy: -13.845 where: short stacking energy: -13.845 Base-Backbone interact. energy: -0.007 local terms energy: -22.579730 where: bonds (distance) C4'-P energy: -6.370 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.749 flat angles P-C4'-P energy: -1.934 tors. eta vs tors. theta energy: -2.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -37.100905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.100905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.100905 (E_RNA) where: Base-Base interactions energy: -15.018 where: short stacking energy: -15.018 Base-Backbone interact. energy: -0.000 local terms energy: -22.083382 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -2.103 flat angles C4'-P-C4' energy: -5.892 flat angles P-C4'-P energy: -4.900 tors. eta vs tors. theta energy: -4.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -34.374278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.374278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.374278 (E_RNA) where: Base-Base interactions energy: -14.299 where: short stacking energy: -14.299 Base-Backbone interact. energy: -0.000 local terms energy: -20.074676 where: bonds (distance) C4'-P energy: -5.899 bonds (distance) P-C4' energy: -4.631 flat angles C4'-P-C4' energy: -1.051 flat angles P-C4'-P energy: -4.234 tors. eta vs tors. theta energy: -4.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -49.313905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.313905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.313905 (E_RNA) where: Base-Base interactions energy: -21.604 where: short stacking energy: -21.165 Base-Backbone interact. energy: -0.635 local terms energy: -27.074167 where: bonds (distance) C4'-P energy: -3.585 bonds (distance) P-C4' energy: -6.392 flat angles C4'-P-C4' energy: -5.813 flat angles P-C4'-P energy: -5.356 tors. eta vs tors. theta energy: -5.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -49.045741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.045741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.045741 (E_RNA) where: Base-Base interactions energy: -23.156 where: short stacking energy: -19.940 Base-Backbone interact. energy: -0.017 local terms energy: -25.873576 where: bonds (distance) C4'-P energy: -4.035 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -6.420 flat angles P-C4'-P energy: -4.964 tors. eta vs tors. theta energy: -3.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -42.227610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.227610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.227610 (E_RNA) where: Base-Base interactions energy: -19.461 where: short stacking energy: -19.461 Base-Backbone interact. energy: -0.000 local terms energy: -22.766707 where: bonds (distance) C4'-P energy: -5.055 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -3.844 flat angles P-C4'-P energy: -1.206 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: 4, replica: 5 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -51.213680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.213680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.213680 (E_RNA) where: Base-Base interactions energy: -21.966 where: short stacking energy: -21.966 Base-Backbone interact. energy: -0.000 local terms energy: -29.247560 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.189 flat angles P-C4'-P energy: -5.241 tors. eta vs tors. theta energy: -5.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -45.427522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.427522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.427522 (E_RNA) where: Base-Base interactions energy: -19.794 where: short stacking energy: -19.794 Base-Backbone interact. energy: -0.071 local terms energy: -25.563197 where: bonds (distance) C4'-P energy: -4.587 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.602 flat angles P-C4'-P energy: -3.949 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: 6, replica: 2 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -42.501553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.501553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.501553 (E_RNA) where: Base-Base interactions energy: -15.555 where: short stacking energy: -15.555 Base-Backbone interact. energy: -0.000 local terms energy: -26.946608 where: bonds (distance) C4'-P energy: -5.063 bonds (distance) P-C4' energy: -4.896 flat angles C4'-P-C4' energy: -6.290 flat angles P-C4'-P energy: -4.713 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: 6 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -36.655287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.655287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.655287 (E_RNA) where: Base-Base interactions energy: -14.398 where: short stacking energy: -14.398 Base-Backbone interact. energy: -0.004 local terms energy: -22.253345 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.675 flat angles P-C4'-P energy: -4.555 tors. eta vs tors. theta energy: -0.562 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: 10 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -36.228706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.228706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.228706 (E_RNA) where: Base-Base interactions energy: -17.285 where: short stacking energy: -17.285 Base-Backbone interact. energy: -0.000 local terms energy: -18.943333 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -2.346 flat angles C4'-P-C4' energy: -4.434 flat angles P-C4'-P energy: -4.480 tors. eta vs tors. theta energy: -2.894 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: 10 Temperature: 1.300000 Total energy: -28.853236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.853236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.853236 (E_RNA) where: Base-Base interactions energy: -10.524 where: short stacking energy: -5.954 Base-Backbone interact. energy: -0.010 local terms energy: -18.319178 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -4.815 flat angles C4'-P-C4' energy: -4.741 flat angles P-C4'-P energy: -1.948 tors. eta vs tors. theta energy: -1.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -32.778768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.778768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.778768 (E_RNA) where: Base-Base interactions energy: -10.003 where: short stacking energy: -10.003 Base-Backbone interact. energy: -0.013 local terms energy: -22.762313 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -6.186 flat angles P-C4'-P energy: -3.308 tors. eta vs tors. theta energy: -0.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -55.408225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.408225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.408225 (E_RNA) where: Base-Base interactions energy: -27.082 where: short stacking energy: -19.418 Base-Backbone interact. energy: -0.013 local terms energy: -28.312893 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.093 flat angles P-C4'-P energy: -5.211 tors. eta vs tors. theta energy: -5.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -46.080868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.080868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.080868 (E_RNA) where: Base-Base interactions energy: -20.798 where: short stacking energy: -20.798 Base-Backbone interact. energy: -0.000 local terms energy: -25.282265 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.406 flat angles P-C4'-P energy: -3.913 tors. eta vs tors. theta energy: -3.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -47.372963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.372963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.372963 (E_RNA) where: Base-Base interactions energy: -20.557 where: short stacking energy: -20.557 Base-Backbone interact. energy: -0.007 local terms energy: -26.808718 where: bonds (distance) C4'-P energy: -5.287 bonds (distance) P-C4' energy: -5.920 flat angles C4'-P-C4' energy: -5.571 flat angles P-C4'-P energy: -4.179 tors. eta vs tors. theta energy: -5.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -42.308172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.308172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.308172 (E_RNA) where: Base-Base interactions energy: -18.160 where: short stacking energy: -18.160 Base-Backbone interact. energy: -0.000 local terms energy: -24.148446 where: bonds (distance) C4'-P energy: -4.574 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -4.035 flat angles P-C4'-P energy: -3.804 tors. eta vs tors. theta energy: -6.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -40.911491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.911491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.911491 (E_RNA) where: Base-Base interactions energy: -19.024 where: short stacking energy: -14.621 Base-Backbone interact. energy: -0.000 local terms energy: -21.887368 where: bonds (distance) C4'-P energy: -4.619 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -4.581 flat angles P-C4'-P energy: -4.791 tors. eta vs tors. theta energy: -2.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -39.511463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.511463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.511463 (E_RNA) where: Base-Base interactions energy: -16.620 where: short stacking energy: -13.453 Base-Backbone interact. energy: -0.002 local terms energy: -22.890077 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -5.304 flat angles C4'-P-C4' energy: -4.940 flat angles P-C4'-P energy: -3.638 tors. eta vs tors. theta energy: -3.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -32.883905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.883905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.883905 (E_RNA) where: Base-Base interactions energy: -8.762 where: short stacking energy: -8.762 Base-Backbone interact. energy: -0.100 local terms energy: -24.022163 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -6.146 flat angles P-C4'-P energy: -3.921 tors. eta vs tors. theta energy: -1.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -30.626116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.626116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.626116 (E_RNA) where: Base-Base interactions energy: -10.179 where: short stacking energy: -10.103 Base-Backbone interact. energy: -0.147 local terms energy: -20.299860 where: bonds (distance) C4'-P energy: -4.541 bonds (distance) P-C4' energy: -6.124 flat angles C4'-P-C4' energy: -6.190 flat angles P-C4'-P energy: -2.298 tors. eta vs tors. theta energy: -1.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -33.088093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.088093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.088093 (E_RNA) where: Base-Base interactions energy: -13.573 where: short stacking energy: -13.170 Base-Backbone interact. energy: -0.025 local terms energy: -19.490920 where: bonds (distance) C4'-P energy: -3.229 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -6.045 flat angles P-C4'-P energy: -3.686 tors. eta vs tors. theta energy: -0.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -33.270409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.270409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.270409 (E_RNA) where: Base-Base interactions energy: -14.283 where: short stacking energy: -8.618 Base-Backbone interact. energy: -0.001 local terms energy: -18.985962 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.966 flat angles P-C4'-P energy: -2.091 tors. eta vs tors. theta energy: -0.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -46.175663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.175663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.175663 (E_RNA) where: Base-Base interactions energy: -18.493 where: short stacking energy: -18.493 Base-Backbone interact. energy: -0.070 local terms energy: -27.613115 where: bonds (distance) C4'-P energy: -6.569 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -6.390 flat angles P-C4'-P energy: -4.956 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: 2, replica: 8 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -57.447302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.447302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.447302 (E_RNA) where: Base-Base interactions energy: -26.513 where: short stacking energy: -26.513 Base-Backbone interact. energy: -0.000 local terms energy: -30.934352 where: bonds (distance) C4'-P energy: -5.705 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.373 flat angles P-C4'-P energy: -5.076 tors. eta vs tors. theta energy: -7.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -44.088636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.088636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.088636 (E_RNA) where: Base-Base interactions energy: -19.219 where: short stacking energy: -19.219 Base-Backbone interact. energy: -0.000 local terms energy: -24.869965 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.159 flat angles C4'-P-C4' energy: -6.494 flat angles P-C4'-P energy: -2.195 tors. eta vs tors. theta energy: -3.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -42.097777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.097777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.097777 (E_RNA) where: Base-Base interactions energy: -15.516 where: short stacking energy: -15.516 Base-Backbone interact. energy: -0.000 local terms energy: -26.581447 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.724 flat angles P-C4'-P energy: -4.161 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: 5, replica: 6 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -40.436755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.436755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.436755 (E_RNA) where: Base-Base interactions energy: -20.072 where: short stacking energy: -17.841 Base-Backbone interact. energy: -0.039 local terms energy: -20.326293 where: bonds (distance) C4'-P energy: -3.494 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -5.476 flat angles P-C4'-P energy: -1.382 tors. eta vs tors. theta energy: -4.635 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: 5 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -39.763378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.763378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.763378 (E_RNA) where: Base-Base interactions energy: -21.846 where: short stacking energy: -21.846 Base-Backbone interact. energy: -0.001 local terms energy: -17.915973 where: bonds (distance) C4'-P energy: -0.256 bonds (distance) P-C4' energy: -4.883 flat angles C4'-P-C4' energy: -4.353 flat angles P-C4'-P energy: -3.420 tors. eta vs tors. theta energy: -5.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -40.046505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.046505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.046505 (E_RNA) where: Base-Base interactions energy: -19.917 where: short stacking energy: -8.493 Base-Backbone interact. energy: -0.055 local terms energy: -20.074712 where: bonds (distance) C4'-P energy: -4.843 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -4.898 flat angles P-C4'-P energy: -3.603 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: 8, replica: 2 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -34.680010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.680010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.680010 (E_RNA) where: Base-Base interactions energy: -16.881 where: short stacking energy: -12.386 Base-Backbone interact. energy: -0.001 local terms energy: -17.798715 where: bonds (distance) C4'-P energy: -3.646 bonds (distance) P-C4' energy: -5.671 flat angles C4'-P-C4' energy: -5.129 flat angles P-C4'-P energy: -0.351 tors. eta vs tors. theta energy: -3.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -34.131502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.131502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.131502 (E_RNA) where: Base-Base interactions energy: -14.922 where: short stacking energy: -14.730 Base-Backbone interact. energy: -0.004 local terms energy: -19.205498 where: bonds (distance) C4'-P energy: -3.770 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.208 flat angles P-C4'-P energy: -3.341 tors. eta vs tors. theta energy: -1.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -32.008559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.008559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.008559 (E_RNA) where: Base-Base interactions energy: -13.955 where: short stacking energy: -13.955 Base-Backbone interact. energy: -0.045 local terms energy: -18.007921 where: bonds (distance) C4'-P energy: -4.159 bonds (distance) P-C4' energy: -4.568 flat angles C4'-P-C4' energy: -4.522 flat angles P-C4'-P energy: -4.042 tors. eta vs tors. theta energy: -0.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -51.649373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.649373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.649373 (E_RNA) where: Base-Base interactions energy: -23.072 where: short stacking energy: -21.183 Base-Backbone interact. energy: -0.704 local terms energy: -27.873365 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -6.077 flat angles P-C4'-P energy: -3.920 tors. eta vs tors. theta energy: -5.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -51.935928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.935928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.935928 (E_RNA) where: Base-Base interactions energy: -22.557 where: short stacking energy: -22.557 Base-Backbone interact. energy: -0.000 local terms energy: -29.378726 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.202 flat angles C4'-P-C4' energy: -6.168 flat angles P-C4'-P energy: -4.200 tors. eta vs tors. theta energy: -6.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -42.406426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.406426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.406426 (E_RNA) where: Base-Base interactions energy: -19.539 where: short stacking energy: -13.993 Base-Backbone interact. energy: -0.001 local terms energy: -22.866798 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.512 flat angles C4'-P-C4' energy: -6.004 flat angles P-C4'-P energy: -2.200 tors. eta vs tors. theta energy: -3.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -47.808596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.808596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.808596 (E_RNA) where: Base-Base interactions energy: -22.169 where: short stacking energy: -15.533 Base-Backbone interact. energy: -0.003 local terms energy: -25.636679 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -4.850 flat angles C4'-P-C4' energy: -6.416 flat angles P-C4'-P energy: -4.124 tors. eta vs tors. theta energy: -4.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -46.801417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.801417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.801417 (E_RNA) where: Base-Base interactions energy: -19.701 where: short stacking energy: -19.701 Base-Backbone interact. energy: 0.006 local terms energy: -27.106645 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.055 flat angles P-C4'-P energy: -3.947 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: 6, replica: 4 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -34.671790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.671790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.671790 (E_RNA) where: Base-Base interactions energy: -15.740 where: short stacking energy: -11.213 Base-Backbone interact. energy: -0.070 local terms energy: -18.861365 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -5.541 flat angles C4'-P-C4' energy: -4.927 flat angles P-C4'-P energy: -1.877 tors. eta vs tors. theta energy: -1.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -34.926743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.926743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.926743 (E_RNA) where: Base-Base interactions energy: -13.386 where: short stacking energy: -13.386 Base-Backbone interact. energy: -0.039 local terms energy: -21.501963 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -4.316 flat angles P-C4'-P energy: -4.919 tors. eta vs tors. theta energy: 0.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -35.992453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.992453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.992453 (E_RNA) where: Base-Base interactions energy: -13.982 where: short stacking energy: -10.246 Base-Backbone interact. energy: -0.026 local terms energy: -21.984549 where: bonds (distance) C4'-P energy: -4.417 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -6.125 flat angles P-C4'-P energy: -4.894 tors. eta vs tors. theta energy: -0.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -30.521838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.521838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.521838 (E_RNA) where: Base-Base interactions energy: -9.118 where: short stacking energy: -9.118 Base-Backbone interact. energy: -0.017 local terms energy: -21.387205 where: bonds (distance) C4'-P energy: -4.376 bonds (distance) P-C4' energy: -4.445 flat angles C4'-P-C4' energy: -6.219 flat angles P-C4'-P energy: -4.077 tors. eta vs tors. theta energy: -2.271 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: 7 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -29.816863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.816863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.816863 (E_RNA) where: Base-Base interactions energy: -10.091 where: short stacking energy: -8.111 Base-Backbone interact. energy: -0.007 local terms energy: -19.719351 where: bonds (distance) C4'-P energy: -4.168 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -3.784 flat angles P-C4'-P energy: -4.802 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: 1, replica: 9 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -48.608556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.608556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.608556 (E_RNA) where: Base-Base interactions energy: -20.284 where: short stacking energy: -20.284 Base-Backbone interact. energy: -0.001 local terms energy: -28.323320 where: bonds (distance) C4'-P energy: -5.543 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -6.086 flat angles P-C4'-P energy: -4.224 tors. eta vs tors. theta energy: -6.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -45.462872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.462872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.462872 (E_RNA) where: Base-Base interactions energy: -21.345 where: short stacking energy: -21.345 Base-Backbone interact. energy: -0.000 local terms energy: -24.118286 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -6.269 flat angles P-C4'-P energy: -3.595 tors. eta vs tors. theta energy: -2.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -40.429867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.429867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.429867 (E_RNA) where: Base-Base interactions energy: -17.348 where: short stacking energy: -17.348 Base-Backbone interact. energy: -0.061 local terms energy: -23.020894 where: bonds (distance) C4'-P energy: -5.063 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.386 flat angles P-C4'-P energy: -2.732 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: 4, replica: 6 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -42.107957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.107957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.107957 (E_RNA) where: Base-Base interactions energy: -18.008 where: short stacking energy: -18.008 Base-Backbone interact. energy: -0.193 local terms energy: -23.906494 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -4.908 flat angles P-C4'-P energy: -3.668 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: 5, replica: 4 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -30.951238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.951238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.951238 (E_RNA) where: Base-Base interactions energy: -11.469 where: short stacking energy: -8.106 Base-Backbone interact. energy: -0.093 local terms energy: -19.389210 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -2.543 flat angles P-C4'-P energy: -4.947 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: 6, replica: 1 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -37.154088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.154088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.154088 (E_RNA) where: Base-Base interactions energy: -12.813 where: short stacking energy: -12.813 Base-Backbone interact. energy: -0.713 local terms energy: -23.627548 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -6.335 flat angles P-C4'-P energy: -3.351 tors. eta vs tors. theta energy: -2.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -38.668779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.668779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.668779 (E_RNA) where: Base-Base interactions energy: -18.840 where: short stacking energy: -18.840 Base-Backbone interact. energy: -0.002 local terms energy: -19.826428 where: bonds (distance) C4'-P energy: -3.510 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -5.388 flat angles P-C4'-P energy: -2.194 tors. eta vs tors. theta energy: -4.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -34.888968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.888968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.888968 (E_RNA) where: Base-Base interactions energy: -12.648 where: short stacking energy: -12.648 Base-Backbone interact. energy: -0.001 local terms energy: -22.240937 where: bonds (distance) C4'-P energy: -4.587 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.021 flat angles P-C4'-P energy: -3.520 tors. eta vs tors. theta energy: -4.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -34.387052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.387052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.387052 (E_RNA) where: Base-Base interactions energy: -13.334 where: short stacking energy: -13.334 Base-Backbone interact. energy: -0.000 local terms energy: -21.053061 where: bonds (distance) C4'-P energy: -5.037 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.834 flat angles P-C4'-P energy: -3.597 tors. eta vs tors. theta energy: -0.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -29.085361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.085361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.085361 (E_RNA) where: Base-Base interactions energy: -11.657 where: short stacking energy: -11.657 Base-Backbone interact. energy: 0.124 local terms energy: -17.552082 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -3.048 flat angles C4'-P-C4' energy: -6.254 flat angles P-C4'-P energy: -1.255 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: 1, replica: 9 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -44.811202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.811202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.811202 (E_RNA) where: Base-Base interactions energy: -20.524 where: short stacking energy: -10.726 Base-Backbone interact. energy: 0.214 local terms energy: -24.501336 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.255 flat angles P-C4'-P energy: -5.082 tors. eta vs tors. theta energy: -0.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -56.554208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.554208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.554208 (E_RNA) where: Base-Base interactions energy: -31.547 where: short stacking energy: -15.727 Base-Backbone interact. energy: -0.012 local terms energy: -24.995251 where: bonds (distance) C4'-P energy: -5.295 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -4.320 flat angles P-C4'-P energy: -5.364 tors. eta vs tors. theta energy: -3.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -41.544636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.544636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.544636 (E_RNA) where: Base-Base interactions energy: -18.125 where: short stacking energy: -18.125 Base-Backbone interact. energy: -0.000 local terms energy: -23.419732 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -4.962 flat angles P-C4'-P energy: -5.060 tors. eta vs tors. theta energy: -1.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -36.499177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.499177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.499177 (E_RNA) where: Base-Base interactions energy: -13.606 where: short stacking energy: -13.606 Base-Backbone interact. energy: -0.000 local terms energy: -22.892673 where: bonds (distance) C4'-P energy: -4.454 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -5.638 flat angles P-C4'-P energy: -4.942 tors. eta vs tors. theta energy: -1.737 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: 6 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -39.582248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.582248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.582248 (E_RNA) where: Base-Base interactions energy: -19.216 where: short stacking energy: -19.216 Base-Backbone interact. energy: -0.006 local terms energy: -20.360195 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -2.032 flat angles C4'-P-C4' energy: -5.305 flat angles P-C4'-P energy: -3.188 tors. eta vs tors. theta energy: -3.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -34.868648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.868648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.868648 (E_RNA) where: Base-Base interactions energy: -12.719 where: short stacking energy: -12.719 Base-Backbone interact. energy: -0.000 local terms energy: -22.149120 where: bonds (distance) C4'-P energy: -5.145 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -4.734 flat angles P-C4'-P energy: -5.091 tors. eta vs tors. theta energy: -1.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -45.514929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.514929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.514929 (E_RNA) where: Base-Base interactions energy: -20.916 where: short stacking energy: -20.916 Base-Backbone interact. energy: -0.000 local terms energy: -24.598648 where: bonds (distance) C4'-P energy: -5.427 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.568 flat angles P-C4'-P energy: -3.326 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: 8, replica: 5 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -44.403981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.403981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.403981 (E_RNA) where: Base-Base interactions energy: -17.418 where: short stacking energy: -17.418 Base-Backbone interact. energy: -0.000 local terms energy: -26.986353 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -5.241 flat angles P-C4'-P energy: -3.580 tors. eta vs tors. theta energy: -5.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -37.400557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.400557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.400557 (E_RNA) where: Base-Base interactions energy: -14.380 where: short stacking energy: -14.380 Base-Backbone interact. energy: -0.000 local terms energy: -23.020375 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -2.865 flat angles P-C4'-P energy: -3.300 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: 2 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -36.346059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.346059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.346059 (E_RNA) where: Base-Base interactions energy: -12.396 where: short stacking energy: -12.396 Base-Backbone interact. energy: -0.000 local terms energy: -23.949717 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -6.397 flat angles P-C4'-P energy: -3.900 tors. eta vs tors. theta energy: -2.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -59.243529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.243529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.243529 (E_RNA) where: Base-Base interactions energy: -34.932 where: short stacking energy: -18.242 Base-Backbone interact. energy: -0.066 local terms energy: -24.245385 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.226 flat angles P-C4'-P energy: -4.326 tors. eta vs tors. theta energy: -2.758 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: 16 Temperature: 0.950000 Total energy: -51.980948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.980948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.980948 (E_RNA) where: Base-Base interactions energy: -27.308 where: short stacking energy: -18.810 Base-Backbone interact. energy: -0.016 local terms energy: -24.656592 where: bonds (distance) C4'-P energy: -5.626 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -4.439 flat angles P-C4'-P energy: -4.846 tors. eta vs tors. theta energy: -3.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -48.232905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.232905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.232905 (E_RNA) where: Base-Base interactions energy: -20.596 where: short stacking energy: -20.596 Base-Backbone interact. energy: -0.000 local terms energy: -27.637018 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.571 flat angles P-C4'-P energy: -4.476 tors. eta vs tors. theta energy: -5.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -50.795181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.795181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.795181 (E_RNA) where: Base-Base interactions energy: -22.332 where: short stacking energy: -22.332 Base-Backbone interact. energy: -0.000 local terms energy: -28.463270 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -5.107 flat angles C4'-P-C4' energy: -6.437 flat angles P-C4'-P energy: -4.221 tors. eta vs tors. theta energy: -6.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -42.956788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.956788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.956788 (E_RNA) where: Base-Base interactions energy: -18.598 where: short stacking energy: -18.598 Base-Backbone interact. energy: -0.001 local terms energy: -24.357461 where: bonds (distance) C4'-P energy: -4.992 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.580 flat angles P-C4'-P energy: -3.269 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: 6 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -39.009627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.009627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.009627 (E_RNA) where: Base-Base interactions energy: -15.883 where: short stacking energy: -15.883 Base-Backbone interact. energy: -0.000 local terms energy: -23.126955 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.709 flat angles P-C4'-P energy: -3.940 tors. eta vs tors. theta energy: -1.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -39.220581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.220581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.220581 (E_RNA) where: Base-Base interactions energy: -16.478 where: short stacking energy: -16.478 Base-Backbone interact. energy: 0.014 local terms energy: -22.757092 where: bonds (distance) C4'-P energy: -3.519 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.938 flat angles P-C4'-P energy: -4.567 tors. eta vs tors. theta energy: -3.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -31.874102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.874102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.874102 (E_RNA) where: Base-Base interactions energy: -11.429 where: short stacking energy: -11.429 Base-Backbone interact. energy: -0.008 local terms energy: -20.436563 where: bonds (distance) C4'-P energy: -3.025 bonds (distance) P-C4' energy: -6.149 flat angles C4'-P-C4' energy: -5.354 flat angles P-C4'-P energy: -3.977 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: 9, replica: 2 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -36.363925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.363925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.363925 (E_RNA) where: Base-Base interactions energy: -19.650 where: short stacking energy: -8.909 Base-Backbone interact. energy: -0.015 local terms energy: -16.699125 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -4.790 flat angles C4'-P-C4' energy: -6.235 flat angles P-C4'-P energy: 0.484 tors. eta vs tors. theta energy: -0.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -30.924809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.924809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.924809 (E_RNA) where: Base-Base interactions energy: -9.095 where: short stacking energy: -9.095 Base-Backbone interact. energy: 0.309 local terms energy: -22.138711 where: bonds (distance) C4'-P energy: -4.176 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.525 flat angles P-C4'-P energy: -4.452 tors. eta vs tors. theta energy: -2.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -54.363269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.363269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.363269 (E_RNA) where: Base-Base interactions energy: -25.212 where: short stacking energy: -25.212 Base-Backbone interact. energy: -0.000 local terms energy: -29.150922 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.959 flat angles P-C4'-P energy: -3.950 tors. eta vs tors. theta energy: -8.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -51.698977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.698977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.698977 (E_RNA) where: Base-Base interactions energy: -23.405 where: short stacking energy: -23.405 Base-Backbone interact. energy: -0.000 local terms energy: -28.293669 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -5.636 flat angles P-C4'-P energy: -3.685 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: 3, replica: 4 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -39.660873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.660873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.660873 (E_RNA) where: Base-Base interactions energy: -17.235 where: short stacking energy: -9.476 Base-Backbone interact. energy: -0.001 local terms energy: -22.424610 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.632 flat angles C4'-P-C4' energy: -4.411 flat angles P-C4'-P energy: -4.862 tors. eta vs tors. theta energy: -0.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -47.590348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.590348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.590348 (E_RNA) where: Base-Base interactions energy: -22.112 where: short stacking energy: -22.112 Base-Backbone interact. energy: -0.005 local terms energy: -25.474128 where: bonds (distance) C4'-P energy: -3.252 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.259 flat angles P-C4'-P energy: -5.030 tors. eta vs tors. theta energy: -4.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -42.773100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.773100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.773100 (E_RNA) where: Base-Base interactions energy: -18.127 where: short stacking energy: -18.127 Base-Backbone interact. energy: -0.000 local terms energy: -24.645325 where: bonds (distance) C4'-P energy: -3.759 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.042 flat angles P-C4'-P energy: -2.712 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: 6, replica: 1 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -39.732438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.732438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.732438 (E_RNA) where: Base-Base interactions energy: -14.674 where: short stacking energy: -14.674 Base-Backbone interact. energy: -0.000 local terms energy: -25.058803 where: bonds (distance) C4'-P energy: -4.980 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.962 flat angles P-C4'-P energy: -2.859 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: 7, replica: 6 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -38.680626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.680626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.680626 (E_RNA) where: Base-Base interactions energy: -18.292 where: short stacking energy: -17.980 Base-Backbone interact. energy: -0.026 local terms energy: -20.362527 where: bonds (distance) C4'-P energy: -2.376 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.558 flat angles P-C4'-P energy: -4.110 tors. eta vs tors. theta energy: -2.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -34.075496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.075496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.075496 (E_RNA) where: Base-Base interactions energy: -19.431 where: short stacking energy: -4.838 Base-Backbone interact. energy: -0.103 local terms energy: -14.542032 where: bonds (distance) C4'-P energy: -4.869 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -2.296 flat angles P-C4'-P energy: -4.121 tors. eta vs tors. theta energy: 3.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -40.434543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.434543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.434543 (E_RNA) where: Base-Base interactions energy: -17.478 where: short stacking energy: -17.478 Base-Backbone interact. energy: -0.006 local terms energy: -22.950617 where: bonds (distance) C4'-P energy: -1.755 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -6.060 flat angles P-C4'-P energy: -3.901 tors. eta vs tors. theta energy: -5.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -37.211202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.211202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.211202 (E_RNA) where: Base-Base interactions energy: -16.129 where: short stacking energy: -16.129 Base-Backbone interact. energy: -0.018 local terms energy: -21.064121 where: bonds (distance) C4'-P energy: -3.005 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -4.032 flat angles P-C4'-P energy: -4.192 tors. eta vs tors. theta energy: -3.421 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: 9 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -45.882071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.882071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.882071 (E_RNA) where: Base-Base interactions energy: -19.901 where: short stacking energy: -19.901 Base-Backbone interact. energy: -0.000 local terms energy: -25.981282 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -6.108 flat angles P-C4'-P energy: -4.802 tors. eta vs tors. theta energy: -2.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -50.392020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.392020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.392020 (E_RNA) where: Base-Base interactions energy: -20.397 where: short stacking energy: -20.397 Base-Backbone interact. energy: -0.000 local terms energy: -29.995230 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -6.328 flat angles P-C4'-P energy: -4.201 tors. eta vs tors. theta energy: -7.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -49.976089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.976089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.976089 (E_RNA) where: Base-Base interactions energy: -24.334 where: short stacking energy: -24.334 Base-Backbone interact. energy: -0.000 local terms energy: -25.641917 where: bonds (distance) C4'-P energy: -4.193 bonds (distance) P-C4' energy: -5.177 flat angles C4'-P-C4' energy: -6.226 flat angles P-C4'-P energy: -4.037 tors. eta vs tors. theta energy: -6.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -44.116560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.116560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.116560 (E_RNA) where: Base-Base interactions energy: -16.958 where: short stacking energy: -16.958 Base-Backbone interact. energy: -0.022 local terms energy: -27.137426 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.110 flat angles P-C4'-P energy: -4.913 tors. eta vs tors. theta energy: -3.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -40.735559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.735559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.735559 (E_RNA) where: Base-Base interactions energy: -17.636 where: short stacking energy: -17.636 Base-Backbone interact. energy: -0.000 local terms energy: -23.099214 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -5.279 flat angles C4'-P-C4' energy: -5.493 flat angles P-C4'-P energy: -3.566 tors. eta vs tors. theta energy: -2.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -42.394081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.394081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.394081 (E_RNA) where: Base-Base interactions energy: -18.879 where: short stacking energy: -18.879 Base-Backbone interact. energy: -0.000 local terms energy: -23.515048 where: bonds (distance) C4'-P energy: -3.017 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.851 flat angles P-C4'-P energy: -3.130 tors. eta vs tors. theta energy: -6.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -38.471388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.471388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.471388 (E_RNA) where: Base-Base interactions energy: -17.257 where: short stacking energy: -17.257 Base-Backbone interact. energy: -0.028 local terms energy: -21.186194 where: bonds (distance) C4'-P energy: -3.236 bonds (distance) P-C4' energy: -3.451 flat angles C4'-P-C4' energy: -6.619 flat angles P-C4'-P energy: -5.667 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: 8, replica: 6 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -31.339326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.339326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.339326 (E_RNA) where: Base-Base interactions energy: -10.925 where: short stacking energy: -6.236 Base-Backbone interact. energy: -0.003 local terms energy: -20.411200 where: bonds (distance) C4'-P energy: -4.921 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -5.214 flat angles P-C4'-P energy: -2.668 tors. eta vs tors. theta energy: -1.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -31.084515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.084515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.084515 (E_RNA) where: Base-Base interactions energy: -12.163 where: short stacking energy: -9.012 Base-Backbone interact. energy: -0.067 local terms energy: -18.854936 where: bonds (distance) C4'-P energy: -3.333 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -4.085 flat angles P-C4'-P energy: -3.123 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: 10, replica: 5 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -33.154452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.154452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.154452 (E_RNA) where: Base-Base interactions energy: -14.527 where: short stacking energy: -11.362 Base-Backbone interact. energy: -0.722 local terms energy: -17.905398 where: bonds (distance) C4'-P energy: -2.438 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -5.606 flat angles P-C4'-P energy: -3.957 tors. eta vs tors. theta energy: -0.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -44.934431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.934431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.934431 (E_RNA) where: Base-Base interactions energy: -17.368 where: short stacking energy: -15.141 Base-Backbone interact. energy: -0.013 local terms energy: -27.553538 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -5.674 flat angles C4'-P-C4' energy: -6.678 flat angles P-C4'-P energy: -5.423 tors. eta vs tors. theta energy: -4.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -50.583976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.583976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.583976 (E_RNA) where: Base-Base interactions energy: -23.168 where: short stacking energy: -23.168 Base-Backbone interact. energy: -0.000 local terms energy: -27.415603 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -6.358 flat angles C4'-P-C4' energy: -5.140 flat angles P-C4'-P energy: -5.380 tors. eta vs tors. theta energy: -5.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -45.678975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.678975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.678975 (E_RNA) where: Base-Base interactions energy: -21.610 where: short stacking energy: -21.610 Base-Backbone interact. energy: -0.000 local terms energy: -24.068498 where: bonds (distance) C4'-P energy: -3.609 bonds (distance) P-C4' energy: -5.445 flat angles C4'-P-C4' energy: -4.948 flat angles P-C4'-P energy: -4.323 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: 4, replica: 4 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -42.736329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.736329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.736329 (E_RNA) where: Base-Base interactions energy: -21.473 where: short stacking energy: -16.426 Base-Backbone interact. energy: -0.003 local terms energy: -21.260614 where: bonds (distance) C4'-P energy: -2.865 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -6.475 flat angles P-C4'-P energy: -4.997 tors. eta vs tors. theta energy: -1.388 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: 1 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -36.041377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.041377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.041377 (E_RNA) where: Base-Base interactions energy: -15.904 where: short stacking energy: -12.774 Base-Backbone interact. energy: -0.217 local terms energy: -19.920864 where: bonds (distance) C4'-P energy: -3.928 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -5.424 flat angles P-C4'-P energy: -2.866 tors. eta vs tors. theta energy: -2.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -36.055990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.055990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.055990 (E_RNA) where: Base-Base interactions energy: -14.299 where: short stacking energy: -14.299 Base-Backbone interact. energy: -0.011 local terms energy: -21.746213 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -5.491 flat angles P-C4'-P energy: -3.982 tors. eta vs tors. theta energy: -1.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -41.254524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.254524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.254524 (E_RNA) where: Base-Base interactions energy: -21.247 where: short stacking energy: -17.962 Base-Backbone interact. energy: -0.000 local terms energy: -20.007587 where: bonds (distance) C4'-P energy: -5.510 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -4.754 flat angles P-C4'-P energy: -0.814 tors. eta vs tors. theta energy: -3.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -36.296974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.296974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.296974 (E_RNA) where: Base-Base interactions energy: -16.125 where: short stacking energy: -15.569 Base-Backbone interact. energy: 0.467 local terms energy: -20.639778 where: bonds (distance) C4'-P energy: -4.400 bonds (distance) P-C4' energy: -6.392 flat angles C4'-P-C4' energy: -5.210 flat angles P-C4'-P energy: -2.853 tors. eta vs tors. theta energy: -1.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -34.970631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.970631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.970631 (E_RNA) where: Base-Base interactions energy: -13.967 where: short stacking energy: -13.967 Base-Backbone interact. energy: -0.000 local terms energy: -21.003159 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -5.143 flat angles C4'-P-C4' energy: -4.596 flat angles P-C4'-P energy: -2.862 tors. eta vs tors. theta energy: -1.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -33.968874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.968874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.968874 (E_RNA) where: Base-Base interactions energy: -13.009 where: short stacking energy: -13.009 Base-Backbone interact. energy: -0.004 local terms energy: -20.956243 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -2.304 flat angles P-C4'-P energy: -5.034 tors. eta vs tors. theta energy: -2.074 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: 10 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -44.285002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.285002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.285002 (E_RNA) where: Base-Base interactions energy: -17.036 where: short stacking energy: -17.036 Base-Backbone interact. energy: -0.000 local terms energy: -27.248580 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.458 flat angles P-C4'-P energy: -5.010 tors. eta vs tors. theta energy: -3.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -47.272131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.272131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.272131 (E_RNA) where: Base-Base interactions energy: -21.663 where: short stacking energy: -21.663 Base-Backbone interact. energy: 0.070 local terms energy: -25.679233 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -4.847 flat angles C4'-P-C4' energy: -5.102 flat angles P-C4'-P energy: -5.344 tors. eta vs tors. theta energy: -4.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -49.445254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.445254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.445254 (E_RNA) where: Base-Base interactions energy: -23.564 where: short stacking energy: -23.564 Base-Backbone interact. energy: -0.000 local terms energy: -25.881386 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -5.886 flat angles C4'-P-C4' energy: -4.532 flat angles P-C4'-P energy: -4.340 tors. eta vs tors. theta energy: -5.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -45.859178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.859178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.859178 (E_RNA) where: Base-Base interactions energy: -21.168 where: short stacking energy: -21.168 Base-Backbone interact. energy: -0.000 local terms energy: -24.691333 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.018 flat angles C4'-P-C4' energy: -5.189 flat angles P-C4'-P energy: -2.765 tors. eta vs tors. theta energy: -5.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -37.475921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.475921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.475921 (E_RNA) where: Base-Base interactions energy: -14.682 where: short stacking energy: -14.682 Base-Backbone interact. energy: -0.003 local terms energy: -22.791119 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -6.255 flat angles P-C4'-P energy: -2.232 tors. eta vs tors. theta energy: -3.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -32.832652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.832652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.832652 (E_RNA) where: Base-Base interactions energy: -16.861 where: short stacking energy: -7.541 Base-Backbone interact. energy: -0.377 local terms energy: -15.593995 where: bonds (distance) C4'-P energy: -4.533 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -4.120 flat angles P-C4'-P energy: -1.879 tors. eta vs tors. theta energy: 0.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -40.199935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.199935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.199935 (E_RNA) where: Base-Base interactions energy: -19.247 where: short stacking energy: -19.247 Base-Backbone interact. energy: -0.002 local terms energy: -20.950189 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -4.233 flat angles P-C4'-P energy: -1.277 tors. eta vs tors. theta energy: -4.203 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: 8, replica: 7 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -33.945736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.945736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.945736 (E_RNA) where: Base-Base interactions energy: -14.872 where: short stacking energy: -5.339 Base-Backbone interact. energy: -0.096 local terms energy: -18.978004 where: bonds (distance) C4'-P energy: -4.851 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -2.440 flat angles P-C4'-P energy: -4.954 tors. eta vs tors. theta energy: -1.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -31.949224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.949224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.949224 (E_RNA) where: Base-Base interactions energy: -10.215 where: short stacking energy: -10.215 Base-Backbone interact. energy: 0.053 local terms energy: -21.787604 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.157 flat angles C4'-P-C4' energy: -5.493 flat angles P-C4'-P energy: -3.055 tors. eta vs tors. theta energy: -2.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -38.702164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.702164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.702164 (E_RNA) where: Base-Base interactions energy: -17.181 where: short stacking energy: -17.181 Base-Backbone interact. energy: -0.000 local terms energy: -21.521641 where: bonds (distance) C4'-P energy: -5.004 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -3.029 flat angles P-C4'-P energy: -1.716 tors. eta vs tors. theta energy: -5.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -51.966276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.966276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.966276 (E_RNA) where: Base-Base interactions energy: -22.483 where: short stacking energy: -22.483 Base-Backbone interact. energy: -0.005 local terms energy: -29.477804 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.980 flat angles P-C4'-P energy: -4.061 tors. eta vs tors. theta energy: -6.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -44.443416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.443416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.443416 (E_RNA) where: Base-Base interactions energy: -20.814 where: short stacking energy: -20.814 Base-Backbone interact. energy: -0.000 local terms energy: -23.629505 where: bonds (distance) C4'-P energy: -4.530 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.633 flat angles P-C4'-P energy: -2.961 tors. eta vs tors. theta energy: -4.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -40.663185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.663185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.663185 (E_RNA) where: Base-Base interactions energy: -19.676 where: short stacking energy: -9.749 Base-Backbone interact. energy: -0.906 local terms energy: -20.080843 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -3.562 flat angles P-C4'-P energy: -4.269 tors. eta vs tors. theta energy: -0.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -43.714488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.714488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.714488 (E_RNA) where: Base-Base interactions energy: -21.843 where: short stacking energy: -21.843 Base-Backbone interact. energy: -0.000 local terms energy: -21.871525 where: bonds (distance) C4'-P energy: -3.883 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -5.792 flat angles P-C4'-P energy: -2.371 tors. eta vs tors. theta energy: -4.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -41.001654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.001654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.001654 (E_RNA) where: Base-Base interactions energy: -17.520 where: short stacking energy: -17.520 Base-Backbone interact. energy: -0.093 local terms energy: -23.388430 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -6.112 flat angles P-C4'-P energy: -4.482 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: 6, replica: 3 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -35.271311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.271311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.271311 (E_RNA) where: Base-Base interactions energy: -13.663 where: short stacking energy: -13.663 Base-Backbone interact. energy: -0.375 local terms energy: -21.232512 where: bonds (distance) C4'-P energy: -5.277 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.588 flat angles P-C4'-P energy: -2.364 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: 7, replica: 1 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -41.200866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.200866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.200866 (E_RNA) where: Base-Base interactions energy: -18.569 where: short stacking energy: -16.128 Base-Backbone interact. energy: -0.116 local terms energy: -22.515899 where: bonds (distance) C4'-P energy: -4.006 bonds (distance) P-C4' energy: -5.040 flat angles C4'-P-C4' energy: -5.513 flat angles P-C4'-P energy: -3.700 tors. eta vs tors. theta energy: -4.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -35.208636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.208636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.208636 (E_RNA) where: Base-Base interactions energy: -21.616 where: short stacking energy: -10.471 Base-Backbone interact. energy: -0.001 local terms energy: -13.591466 where: bonds (distance) C4'-P energy: -4.202 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -4.932 flat angles P-C4'-P energy: 1.327 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: 9, replica: 7 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -30.696970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.696970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.696970 (E_RNA) where: Base-Base interactions energy: -14.664 where: short stacking energy: -8.390 Base-Backbone interact. energy: -0.147 local terms energy: -15.885957 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -4.201 flat angles P-C4'-P energy: -1.208 tors. eta vs tors. theta energy: 0.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -29.488915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.488915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.488915 (E_RNA) where: Base-Base interactions energy: -10.143 where: short stacking energy: -8.764 Base-Backbone interact. energy: -0.000 local terms energy: -19.345752 where: bonds (distance) C4'-P energy: -4.913 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -1.880 flat angles P-C4'-P energy: -3.568 tors. eta vs tors. theta energy: -4.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -44.019187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.019187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.019187 (E_RNA) where: Base-Base interactions energy: -17.232 where: short stacking energy: -17.232 Base-Backbone interact. energy: -0.094 local terms energy: -26.693458 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.748 flat angles P-C4'-P energy: -2.090 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: 2, replica: 9 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -44.321713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.321713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.321713 (E_RNA) where: Base-Base interactions energy: -15.800 where: short stacking energy: -15.800 Base-Backbone interact. energy: -0.017 local terms energy: -28.504656 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.384 flat angles P-C4'-P energy: -5.656 tors. eta vs tors. theta energy: -4.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -34.570480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.570480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.570480 (E_RNA) where: Base-Base interactions energy: -14.544 where: short stacking energy: -6.878 Base-Backbone interact. energy: -0.037 local terms energy: -19.989503 where: bonds (distance) C4'-P energy: -5.145 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.272 flat angles P-C4'-P energy: -3.106 tors. eta vs tors. theta energy: -0.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -46.859147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.859147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.859147 (E_RNA) where: Base-Base interactions energy: -20.891 where: short stacking energy: -20.891 Base-Backbone interact. energy: -0.000 local terms energy: -25.968528 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.040 flat angles C4'-P-C4' energy: -5.899 flat angles P-C4'-P energy: -3.526 tors. eta vs tors. theta energy: -5.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -37.796774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.796774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.796774 (E_RNA) where: Base-Base interactions energy: -17.477 where: short stacking energy: -17.477 Base-Backbone interact. energy: -0.211 local terms energy: -20.109276 where: bonds (distance) C4'-P energy: -4.238 bonds (distance) P-C4' energy: -4.401 flat angles C4'-P-C4' energy: -5.813 flat angles P-C4'-P energy: -3.397 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: 6, replica: 8 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -41.357831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.357831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.357831 (E_RNA) where: Base-Base interactions energy: -17.677 where: short stacking energy: -17.677 Base-Backbone interact. energy: -0.003 local terms energy: -23.677410 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -5.512 flat angles P-C4'-P energy: -2.245 tors. eta vs tors. theta energy: -4.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -36.075363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.075363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.075363 (E_RNA) where: Base-Base interactions energy: -16.317 where: short stacking energy: -16.317 Base-Backbone interact. energy: -0.044 local terms energy: -19.714743 where: bonds (distance) C4'-P energy: -2.376 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -3.542 flat angles P-C4'-P energy: -4.116 tors. eta vs tors. theta energy: -3.013 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: 1 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -36.973431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.973431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.973431 (E_RNA) where: Base-Base interactions energy: -10.582 where: short stacking energy: -10.582 Base-Backbone interact. energy: -0.000 local terms energy: -26.391030 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.108 flat angles P-C4'-P energy: -3.915 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: 9, replica: 7 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -36.922788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.922788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.922788 (E_RNA) where: Base-Base interactions energy: -13.789 where: short stacking energy: -13.789 Base-Backbone interact. energy: -0.000 local terms energy: -23.133462 where: bonds (distance) C4'-P energy: -5.099 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -4.708 flat angles P-C4'-P energy: -3.218 tors. eta vs tors. theta energy: -3.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -31.850133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.850133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.850133 (E_RNA) where: Base-Base interactions energy: -10.245 where: short stacking energy: -10.245 Base-Backbone interact. energy: -0.051 local terms energy: -21.553999 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.643 flat angles P-C4'-P energy: -3.696 tors. eta vs tors. theta energy: 0.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -49.311538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.311538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.311538 (E_RNA) where: Base-Base interactions energy: -22.947 where: short stacking energy: -18.759 Base-Backbone interact. energy: -0.000 local terms energy: -26.363972 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.540 flat angles P-C4'-P energy: -1.871 tors. eta vs tors. theta energy: -7.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -43.481392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.481392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.481392 (E_RNA) where: Base-Base interactions energy: -20.453 where: short stacking energy: -15.576 Base-Backbone interact. energy: -0.006 local terms energy: -23.022220 where: bonds (distance) C4'-P energy: -4.699 bonds (distance) P-C4' energy: -6.118 flat angles C4'-P-C4' energy: -5.016 flat angles P-C4'-P energy: -3.228 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: 3, replica: 9 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -45.709729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.709729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.709729 (E_RNA) where: Base-Base interactions energy: -20.865 where: short stacking energy: -20.865 Base-Backbone interact. energy: -0.003 local terms energy: -24.841722 where: bonds (distance) C4'-P energy: -3.991 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.756 flat angles P-C4'-P energy: -4.583 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: 4, replica: 3 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -47.078469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.078469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.078469 (E_RNA) where: Base-Base interactions energy: -19.099 where: short stacking energy: -19.099 Base-Backbone interact. energy: -0.000 local terms energy: -27.979269 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.125 flat angles C4'-P-C4' energy: -5.728 flat angles P-C4'-P energy: -2.351 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: 5, replica: 4 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -39.608653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.608653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.608653 (E_RNA) where: Base-Base interactions energy: -16.782 where: short stacking energy: -16.782 Base-Backbone interact. energy: -0.008 local terms energy: -22.818512 where: bonds (distance) C4'-P energy: -4.122 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -5.531 flat angles P-C4'-P energy: -5.100 tors. eta vs tors. theta energy: -2.556 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: 5 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -41.128276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.128276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.128276 (E_RNA) where: Base-Base interactions energy: -16.911 where: short stacking energy: -16.911 Base-Backbone interact. energy: -0.000 local terms energy: -24.217065 where: bonds (distance) C4'-P energy: -4.665 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.080 flat angles P-C4'-P energy: -2.859 tors. eta vs tors. theta energy: -3.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -44.820995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.820995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.820995 (E_RNA) where: Base-Base interactions energy: -20.567 where: short stacking energy: -20.567 Base-Backbone interact. energy: -0.000 local terms energy: -24.253550 where: bonds (distance) C4'-P energy: -3.229 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -4.177 flat angles P-C4'-P energy: -4.538 tors. eta vs tors. theta energy: -6.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -38.180946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.180946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.180946 (E_RNA) where: Base-Base interactions energy: -16.960 where: short stacking energy: -16.960 Base-Backbone interact. energy: -0.001 local terms energy: -21.219630 where: bonds (distance) C4'-P energy: -6.098 bonds (distance) P-C4' energy: -2.273 flat angles C4'-P-C4' energy: -6.048 flat angles P-C4'-P energy: -4.085 tors. eta vs tors. theta energy: -2.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -31.442167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.442167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.442167 (E_RNA) where: Base-Base interactions energy: -13.264 where: short stacking energy: -13.264 Base-Backbone interact. energy: -0.066 local terms energy: -18.112131 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -4.015 flat angles C4'-P-C4' energy: -4.880 flat angles P-C4'-P energy: -2.567 tors. eta vs tors. theta energy: -0.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -36.901428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.901428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.901428 (E_RNA) where: Base-Base interactions energy: -13.308 where: short stacking energy: -13.308 Base-Backbone interact. energy: -0.000 local terms energy: -23.593552 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -4.293 flat angles C4'-P-C4' energy: -5.157 flat angles P-C4'-P energy: -5.356 tors. eta vs tors. theta energy: -2.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -52.750300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.750300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.750300 (E_RNA) where: Base-Base interactions energy: -23.405 where: short stacking energy: -23.405 Base-Backbone interact. energy: -0.000 local terms energy: -29.344902 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -5.705 flat angles C4'-P-C4' energy: -6.127 flat angles P-C4'-P energy: -4.982 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: 2, replica: 10 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -51.214711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.214711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.214711 (E_RNA) where: Base-Base interactions energy: -25.217 where: short stacking energy: -25.217 Base-Backbone interact. energy: -0.000 local terms energy: -25.997441 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -1.471 flat angles C4'-P-C4' energy: -6.819 flat angles P-C4'-P energy: -4.484 tors. eta vs tors. theta energy: -7.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -44.567311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.567311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.567311 (E_RNA) where: Base-Base interactions energy: -19.829 where: short stacking energy: -19.829 Base-Backbone interact. energy: -0.000 local terms energy: -24.738599 where: bonds (distance) C4'-P energy: -5.427 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -5.957 flat angles P-C4'-P energy: -3.739 tors. eta vs tors. theta energy: -3.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -42.460992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.460992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.460992 (E_RNA) where: Base-Base interactions energy: -16.724 where: short stacking energy: -16.644 Base-Backbone interact. energy: -0.000 local terms energy: -25.737304 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -5.438 flat angles C4'-P-C4' energy: -5.975 flat angles P-C4'-P energy: -4.807 tors. eta vs tors. theta energy: -4.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -38.819695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.819695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.819695 (E_RNA) where: Base-Base interactions energy: -16.150 where: short stacking energy: -16.150 Base-Backbone interact. energy: -0.114 local terms energy: -22.556040 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -5.143 flat angles C4'-P-C4' energy: -3.658 flat angles P-C4'-P energy: -4.313 tors. eta vs tors. theta energy: -3.577 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: 6, replica: 4 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -51.773519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.773519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.773519 (E_RNA) where: Base-Base interactions energy: -22.363 where: short stacking energy: -22.363 Base-Backbone interact. energy: -0.000 local terms energy: -29.410263 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.390 flat angles P-C4'-P energy: -2.914 tors. eta vs tors. theta energy: -7.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -35.305475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.305475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.305475 (E_RNA) where: Base-Base interactions energy: -17.503 where: short stacking energy: -17.503 Base-Backbone interact. energy: 0.573 local terms energy: -18.374716 where: bonds (distance) C4'-P energy: -2.600 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -5.678 flat angles P-C4'-P energy: -1.581 tors. eta vs tors. theta energy: -2.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -34.792864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.792864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.792864 (E_RNA) where: Base-Base interactions energy: -13.598 where: short stacking energy: -13.598 Base-Backbone interact. energy: -0.008 local terms energy: -21.186132 where: bonds (distance) C4'-P energy: -4.508 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -4.414 flat angles P-C4'-P energy: -3.062 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: 9, replica: 6 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -35.364626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.364626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.364626 (E_RNA) where: Base-Base interactions energy: -11.691 where: short stacking energy: -11.691 Base-Backbone interact. energy: -0.000 local terms energy: -23.673402 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -3.777 flat angles P-C4'-P energy: -3.978 tors. eta vs tors. theta energy: -2.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -30.049254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.049254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.049254 (E_RNA) where: Base-Base interactions energy: -11.155 where: short stacking energy: -4.978 Base-Backbone interact. energy: -0.012 local terms energy: -18.881584 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -4.898 flat angles P-C4'-P energy: -2.338 tors. eta vs tors. theta energy: -0.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -53.190073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.190073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.190073 (E_RNA) where: Base-Base interactions energy: -25.671 where: short stacking energy: -25.671 Base-Backbone interact. energy: -0.000 local terms energy: -27.519455 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -5.279 flat angles C4'-P-C4' energy: -6.430 flat angles P-C4'-P energy: -2.986 tors. eta vs tors. theta energy: -7.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -44.788137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.788137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.788137 (E_RNA) where: Base-Base interactions energy: -21.421 where: short stacking energy: -12.797 Base-Backbone interact. energy: -0.001 local terms energy: -23.366865 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.130 flat angles P-C4'-P energy: -3.844 tors. eta vs tors. theta energy: -1.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -44.852492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.852492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.852492 (E_RNA) where: Base-Base interactions energy: -19.140 where: short stacking energy: -15.758 Base-Backbone interact. energy: -0.272 local terms energy: -25.440772 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -5.597 flat angles P-C4'-P energy: -4.076 tors. eta vs tors. theta energy: -3.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -40.023963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.023963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.023963 (E_RNA) where: Base-Base interactions energy: -15.605 where: short stacking energy: -14.568 Base-Backbone interact. energy: -0.865 local terms energy: -23.553682 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -5.368 flat angles C4'-P-C4' energy: -5.054 flat angles P-C4'-P energy: -2.831 tors. eta vs tors. theta energy: -4.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -40.526714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.526714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.526714 (E_RNA) where: Base-Base interactions energy: -19.561 where: short stacking energy: -19.561 Base-Backbone interact. energy: -0.023 local terms energy: -20.942828 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -4.617 flat angles C4'-P-C4' energy: -4.478 flat angles P-C4'-P energy: -1.627 tors. eta vs tors. theta energy: -4.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -39.078755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.078755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.078755 (E_RNA) where: Base-Base interactions energy: -13.350 where: short stacking energy: -9.171 Base-Backbone interact. energy: -0.003 local terms energy: -25.726269 where: bonds (distance) C4'-P energy: -5.737 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.273 flat angles P-C4'-P energy: -5.221 tors. eta vs tors. theta energy: -1.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -42.605162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.605162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.605162 (E_RNA) where: Base-Base interactions energy: -19.258 where: short stacking energy: -19.258 Base-Backbone interact. energy: -0.027 local terms energy: -23.320522 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.544 flat angles P-C4'-P energy: -2.644 tors. eta vs tors. theta energy: -3.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -32.718689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.718689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.718689 (E_RNA) where: Base-Base interactions energy: -10.591 where: short stacking energy: -10.591 Base-Backbone interact. energy: -0.004 local terms energy: -22.123124 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.450 flat angles P-C4'-P energy: -4.658 tors. eta vs tors. theta energy: 0.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -34.699985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.699985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.699985 (E_RNA) where: Base-Base interactions energy: -10.096 where: short stacking energy: -10.096 Base-Backbone interact. energy: -0.000 local terms energy: -24.604278 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -5.930 flat angles P-C4'-P energy: -3.250 tors. eta vs tors. theta energy: -2.895 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: 10, replica: 1 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -36.210865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.210865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.210865 (E_RNA) where: Base-Base interactions energy: -14.515 where: short stacking energy: -14.515 Base-Backbone interact. energy: -0.000 local terms energy: -21.696329 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -3.879 flat angles C4'-P-C4' energy: -5.459 flat angles P-C4'-P energy: -2.850 tors. eta vs tors. theta energy: -4.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -51.266880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.266880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.266880 (E_RNA) where: Base-Base interactions energy: -20.312 where: short stacking energy: -20.312 Base-Backbone interact. energy: -0.000 local terms energy: -30.954390 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.516 flat angles P-C4'-P energy: -4.483 tors. eta vs tors. theta energy: -7.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -47.987324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.987324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.987324 (E_RNA) where: Base-Base interactions energy: -22.440 where: short stacking energy: -22.440 Base-Backbone interact. energy: -0.000 local terms energy: -25.547542 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -5.656 flat angles P-C4'-P energy: -3.725 tors. eta vs tors. theta energy: -4.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -47.260515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.260515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.260515 (E_RNA) where: Base-Base interactions energy: -21.824 where: short stacking energy: -12.080 Base-Backbone interact. energy: -0.026 local terms energy: -25.410305 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -4.896 flat angles P-C4'-P energy: -4.062 tors. eta vs tors. theta energy: -3.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -47.995509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.995509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.995509 (E_RNA) where: Base-Base interactions energy: -25.264 where: short stacking energy: -14.706 Base-Backbone interact. energy: -0.084 local terms energy: -22.648161 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.604 flat angles P-C4'-P energy: -5.046 tors. eta vs tors. theta energy: -1.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -44.276175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.276175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.276175 (E_RNA) where: Base-Base interactions energy: -18.138 where: short stacking energy: -14.177 Base-Backbone interact. energy: -0.002 local terms energy: -26.136298 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.219 flat angles P-C4'-P energy: -5.076 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: 6, replica: 5 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -46.830970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.830970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.830970 (E_RNA) where: Base-Base interactions energy: -19.784 where: short stacking energy: -19.784 Base-Backbone interact. energy: -0.000 local terms energy: -27.046822 where: bonds (distance) C4'-P energy: -3.779 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.077 flat angles P-C4'-P energy: -4.165 tors. eta vs tors. theta energy: -5.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -41.693399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.693399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.693399 (E_RNA) where: Base-Base interactions energy: -19.832 where: short stacking energy: -14.470 Base-Backbone interact. energy: -0.049 local terms energy: -21.812253 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -4.131 flat angles C4'-P-C4' energy: -4.829 flat angles P-C4'-P energy: -3.249 tors. eta vs tors. theta energy: -3.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -36.979748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.979748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.979748 (E_RNA) where: Base-Base interactions energy: -16.996 where: short stacking energy: -9.137 Base-Backbone interact. energy: -0.078 local terms energy: -19.905472 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -5.352 flat angles C4'-P-C4' energy: -5.942 flat angles P-C4'-P energy: -2.478 tors. eta vs tors. theta energy: -0.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -32.748537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.748537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.748537 (E_RNA) where: Base-Base interactions energy: -9.567 where: short stacking energy: -9.567 Base-Backbone interact. energy: -0.000 local terms energy: -23.181667 where: bonds (distance) C4'-P energy: -3.005 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.164 flat angles P-C4'-P energy: -3.102 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: 10, replica: 8 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -33.450704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.450704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.450704 (E_RNA) where: Base-Base interactions energy: -10.226 where: short stacking energy: -8.039 Base-Backbone interact. energy: -0.071 local terms energy: -23.153785 where: bonds (distance) C4'-P energy: -5.047 bonds (distance) P-C4' energy: -5.103 flat angles C4'-P-C4' energy: -5.919 flat angles P-C4'-P energy: -5.223 tors. eta vs tors. theta energy: -1.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -51.589651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.589651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.589651 (E_RNA) where: Base-Base interactions energy: -20.758 where: short stacking energy: -20.758 Base-Backbone interact. energy: -0.000 local terms energy: -30.831411 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -6.692 flat angles P-C4'-P energy: -4.348 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: 2, replica: 3 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -40.447897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.447897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.447897 (E_RNA) where: Base-Base interactions energy: -17.009 where: short stacking energy: -12.231 Base-Backbone interact. energy: -0.755 local terms energy: -22.683836 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.323 flat angles P-C4'-P energy: -4.762 tors. eta vs tors. theta energy: -0.306 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: 2 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -38.655599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.655599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.655599 (E_RNA) where: Base-Base interactions energy: -16.441 where: short stacking energy: -16.441 Base-Backbone interact. energy: -0.080 local terms energy: -22.133836 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.269 flat angles P-C4'-P energy: -4.691 tors. eta vs tors. theta energy: -1.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -45.357330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.357330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.357330 (E_RNA) where: Base-Base interactions energy: -20.958 where: short stacking energy: -20.958 Base-Backbone interact. energy: -0.000 local terms energy: -24.398929 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.743 flat angles P-C4'-P energy: -2.230 tors. eta vs tors. theta energy: -4.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -36.141941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.141941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.141941 (E_RNA) where: Base-Base interactions energy: -14.412 where: short stacking energy: -12.791 Base-Backbone interact. energy: -0.015 local terms energy: -21.715069 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.747 flat angles P-C4'-P energy: -3.052 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: 6, replica: 4 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -38.875244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.875244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.875244 (E_RNA) where: Base-Base interactions energy: -19.485 where: short stacking energy: -13.686 Base-Backbone interact. energy: -0.099 local terms energy: -19.291144 where: bonds (distance) C4'-P energy: -4.703 bonds (distance) P-C4' energy: -2.811 flat angles C4'-P-C4' energy: -5.536 flat angles P-C4'-P energy: -4.467 tors. eta vs tors. theta energy: -1.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -40.302265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.302265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.302265 (E_RNA) where: Base-Base interactions energy: -21.593 where: short stacking energy: -13.911 Base-Backbone interact. energy: -0.020 local terms energy: -18.689028 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -5.054 flat angles C4'-P-C4' energy: -4.790 flat angles P-C4'-P energy: -3.262 tors. eta vs tors. theta energy: 0.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -40.462008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.462008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.462008 (E_RNA) where: Base-Base interactions energy: -17.084 where: short stacking energy: -17.084 Base-Backbone interact. energy: -0.001 local terms energy: -23.377493 where: bonds (distance) C4'-P energy: -4.843 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -3.833 flat angles P-C4'-P energy: -4.284 tors. eta vs tors. theta energy: -4.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -34.892888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.892888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.892888 (E_RNA) where: Base-Base interactions energy: -13.749 where: short stacking energy: -13.749 Base-Backbone interact. energy: -0.000 local terms energy: -21.143494 where: bonds (distance) C4'-P energy: -4.913 bonds (distance) P-C4' energy: -4.976 flat angles C4'-P-C4' energy: -4.806 flat angles P-C4'-P energy: -2.621 tors. eta vs tors. theta energy: -3.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -28.431281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.431281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.431281 (E_RNA) where: Base-Base interactions energy: -13.462 where: short stacking energy: -13.462 Base-Backbone interact. energy: -0.039 local terms energy: -14.929655 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -4.463 flat angles C4'-P-C4' energy: -1.126 flat angles P-C4'-P energy: -1.235 tors. eta vs tors. theta energy: -3.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -50.943649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.943649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.943649 (E_RNA) where: Base-Base interactions energy: -25.137 where: short stacking energy: -20.651 Base-Backbone interact. energy: -0.000 local terms energy: -25.806425 where: bonds (distance) C4'-P energy: -4.648 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -4.449 flat angles P-C4'-P energy: -4.840 tors. eta vs tors. theta energy: -5.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -55.188715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.188715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.188715 (E_RNA) where: Base-Base interactions energy: -29.860 where: short stacking energy: -19.222 Base-Backbone interact. energy: -0.030 local terms energy: -25.299083 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -4.898 flat angles P-C4'-P energy: -4.218 tors. eta vs tors. theta energy: -3.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -43.474182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.474182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.474182 (E_RNA) where: Base-Base interactions energy: -21.190 where: short stacking energy: -21.190 Base-Backbone interact. energy: -0.000 local terms energy: -22.283748 where: bonds (distance) C4'-P energy: -4.665 bonds (distance) P-C4' energy: -3.525 flat angles C4'-P-C4' energy: -5.886 flat angles P-C4'-P energy: -2.983 tors. eta vs tors. theta energy: -5.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -41.253823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.253823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.253823 (E_RNA) where: Base-Base interactions energy: -16.613 where: short stacking energy: -16.613 Base-Backbone interact. energy: -0.049 local terms energy: -24.592146 where: bonds (distance) C4'-P energy: -4.864 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.269 flat angles P-C4'-P energy: -4.405 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: 5, replica: 4 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -37.729066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.729066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.729066 (E_RNA) where: Base-Base interactions energy: -18.621 where: short stacking energy: -13.015 Base-Backbone interact. energy: 1.282 local terms energy: -20.390869 where: bonds (distance) C4'-P energy: -4.453 bonds (distance) P-C4' energy: -7.150 flat angles C4'-P-C4' energy: -3.510 flat angles P-C4'-P energy: -2.064 tors. eta vs tors. theta energy: -3.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -39.015928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.015928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.015928 (E_RNA) where: Base-Base interactions energy: -16.287 where: short stacking energy: -16.287 Base-Backbone interact. energy: -0.000 local terms energy: -22.728739 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -4.256 flat angles P-C4'-P energy: -2.977 tors. eta vs tors. theta energy: -4.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -32.733660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.733660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.733660 (E_RNA) where: Base-Base interactions energy: -17.402 where: short stacking energy: -17.402 Base-Backbone interact. energy: -0.000 local terms energy: -15.331663 where: bonds (distance) C4'-P energy: -4.743 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.177 flat angles P-C4'-P energy: -1.898 tors. eta vs tors. theta energy: 0.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -33.837712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.837712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.837712 (E_RNA) where: Base-Base interactions energy: -13.708 where: short stacking energy: -13.708 Base-Backbone interact. energy: -0.000 local terms energy: -20.129258 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -4.917 flat angles C4'-P-C4' energy: -3.636 flat angles P-C4'-P energy: -4.339 tors. eta vs tors. theta energy: -2.341 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: 8 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -34.778483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.778483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.778483 (E_RNA) where: Base-Base interactions energy: -15.865 where: short stacking energy: -15.097 Base-Backbone interact. energy: -0.014 local terms energy: -18.899406 where: bonds (distance) C4'-P energy: -3.506 bonds (distance) P-C4' energy: -5.892 flat angles C4'-P-C4' energy: -4.892 flat angles P-C4'-P energy: -2.603 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: 10, replica: 6 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -33.509851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.509851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.509851 (E_RNA) where: Base-Base interactions energy: -13.198 where: short stacking energy: -13.198 Base-Backbone interact. energy: -0.000 local terms energy: -20.311425 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -5.200 flat angles C4'-P-C4' energy: -4.467 flat angles P-C4'-P energy: -2.563 tors. eta vs tors. theta energy: -2.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -42.864174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.864174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.864174 (E_RNA) where: Base-Base interactions energy: -17.351 where: short stacking energy: -17.351 Base-Backbone interact. energy: -0.113 local terms energy: -25.399448 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -6.027 flat angles P-C4'-P energy: -1.858 tors. eta vs tors. theta energy: -4.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -46.770646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.770646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.770646 (E_RNA) where: Base-Base interactions energy: -19.069 where: short stacking energy: -19.069 Base-Backbone interact. energy: -0.000 local terms energy: -27.701274 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.882 flat angles P-C4'-P energy: -3.212 tors. eta vs tors. theta energy: -5.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -42.905995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.905995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.905995 (E_RNA) where: Base-Base interactions energy: -23.827 where: short stacking energy: -12.645 Base-Backbone interact. energy: -0.006 local terms energy: -19.073033 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -3.459 flat angles P-C4'-P energy: -1.376 tors. eta vs tors. theta energy: -2.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -45.034720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.034720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.034720 (E_RNA) where: Base-Base interactions energy: -21.052 where: short stacking energy: -21.052 Base-Backbone interact. energy: -0.000 local terms energy: -23.982599 where: bonds (distance) C4'-P energy: -4.223 bonds (distance) P-C4' energy: -5.604 flat angles C4'-P-C4' energy: -6.189 flat angles P-C4'-P energy: -3.239 tors. eta vs tors. theta energy: -4.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -38.403933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.403933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.403933 (E_RNA) where: Base-Base interactions energy: -16.825 where: short stacking energy: -11.984 Base-Backbone interact. energy: 0.195 local terms energy: -21.774640 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -2.380 flat angles C4'-P-C4' energy: -6.312 flat angles P-C4'-P energy: -3.756 tors. eta vs tors. theta energy: -3.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -37.672861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.672861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.672861 (E_RNA) where: Base-Base interactions energy: -15.100 where: short stacking energy: -15.100 Base-Backbone interact. energy: -0.002 local terms energy: -22.570690 where: bonds (distance) C4'-P energy: -4.773 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.573 flat angles P-C4'-P energy: -2.123 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: 7, replica: 10 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -33.903590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.903590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.903590 (E_RNA) where: Base-Base interactions energy: -11.945 where: short stacking energy: -11.945 Base-Backbone interact. energy: -0.854 local terms energy: -21.104416 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -4.684 flat angles C4'-P-C4' energy: -5.688 flat angles P-C4'-P energy: -3.173 tors. eta vs tors. theta energy: -1.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -32.420232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.420232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.420232 (E_RNA) where: Base-Base interactions energy: -9.787 where: short stacking energy: -9.787 Base-Backbone interact. energy: -0.002 local terms energy: -22.631264 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -5.892 flat angles C4'-P-C4' energy: -5.726 flat angles P-C4'-P energy: -4.341 tors. eta vs tors. theta energy: -2.210 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: 29 Temperature: 1.300000 Total energy: -32.121673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.121673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.121673 (E_RNA) where: Base-Base interactions energy: -8.412 where: short stacking energy: -8.412 Base-Backbone interact. energy: -0.010 local terms energy: -23.699426 where: bonds (distance) C4'-P energy: -5.510 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.088 flat angles P-C4'-P energy: -3.637 tors. eta vs tors. theta energy: -3.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -38.758642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.758642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.758642 (E_RNA) where: Base-Base interactions energy: -16.501 where: short stacking energy: -16.501 Base-Backbone interact. energy: -0.002 local terms energy: -22.255143 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -5.628 flat angles C4'-P-C4' energy: -4.831 flat angles P-C4'-P energy: -4.393 tors. eta vs tors. theta energy: -1.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -42.783979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.783979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.783979 (E_RNA) where: Base-Base interactions energy: -19.383 where: short stacking energy: -15.668 Base-Backbone interact. energy: -0.000 local terms energy: -23.400710 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -4.266 flat angles P-C4'-P energy: -2.789 tors. eta vs tors. theta energy: -4.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -46.077526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.077526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.077526 (E_RNA) where: Base-Base interactions energy: -24.659 where: short stacking energy: -15.002 Base-Backbone interact. energy: -0.017 local terms energy: -21.400859 where: bonds (distance) C4'-P energy: -4.098 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -5.994 flat angles P-C4'-P energy: -4.373 tors. eta vs tors. theta energy: -1.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -41.230073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.230073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.230073 (E_RNA) where: Base-Base interactions energy: -17.122 where: short stacking energy: -17.122 Base-Backbone interact. energy: -0.000 local terms energy: -24.107670 where: bonds (distance) C4'-P energy: -3.953 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -6.867 flat angles P-C4'-P energy: -3.005 tors. eta vs tors. theta energy: -3.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -45.524935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.524935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.524935 (E_RNA) where: Base-Base interactions energy: -23.358 where: short stacking energy: -15.831 Base-Backbone interact. energy: -0.380 local terms energy: -21.787250 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.781 flat angles P-C4'-P energy: -1.562 tors. eta vs tors. theta energy: -1.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -46.468493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.468493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.468493 (E_RNA) where: Base-Base interactions energy: -18.131 where: short stacking energy: -18.131 Base-Backbone interact. energy: -0.000 local terms energy: -28.337307 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.852 flat angles P-C4'-P energy: -3.556 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: 6, replica: 2 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -39.070771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.070771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.070771 (E_RNA) where: Base-Base interactions energy: -18.181 where: short stacking energy: -18.181 Base-Backbone interact. energy: -0.005 local terms energy: -20.883847 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -3.074 flat angles P-C4'-P energy: -3.587 tors. eta vs tors. theta energy: -2.525 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: 8 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -35.906217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.906217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.906217 (E_RNA) where: Base-Base interactions energy: -18.293 where: short stacking energy: -18.293 Base-Backbone interact. energy: -0.001 local terms energy: -17.612800 where: bonds (distance) C4'-P energy: -3.982 bonds (distance) P-C4' energy: -5.112 flat angles C4'-P-C4' energy: -3.194 flat angles P-C4'-P energy: -2.658 tors. eta vs tors. theta energy: -2.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -32.608789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.608789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.608789 (E_RNA) where: Base-Base interactions energy: -11.943 where: short stacking energy: -11.943 Base-Backbone interact. energy: -0.000 local terms energy: -20.665927 where: bonds (distance) C4'-P energy: -5.042 bonds (distance) P-C4' energy: -3.296 flat angles C4'-P-C4' energy: -6.293 flat angles P-C4'-P energy: -2.556 tors. eta vs tors. theta energy: -3.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -33.663087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.663087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.663087 (E_RNA) where: Base-Base interactions energy: -13.624 where: short stacking energy: -13.420 Base-Backbone interact. energy: -0.001 local terms energy: -20.038233 where: bonds (distance) C4'-P energy: -2.180 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -6.450 flat angles P-C4'-P energy: -2.777 tors. eta vs tors. theta energy: -2.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -33.280446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.280446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.280446 (E_RNA) where: Base-Base interactions energy: -15.882 where: short stacking energy: -15.882 Base-Backbone interact. energy: -0.008 local terms energy: -17.389906 where: bonds (distance) C4'-P energy: -1.630 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -4.883 flat angles P-C4'-P energy: -2.205 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: 1, replica: 9 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -50.402995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.402995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.402995 (E_RNA) where: Base-Base interactions energy: -22.713 where: short stacking energy: -22.713 Base-Backbone interact. energy: -0.000 local terms energy: -27.689669 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -6.202 flat angles C4'-P-C4' energy: -5.826 flat angles P-C4'-P energy: -3.033 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: 2, replica: 4 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -48.814235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.814235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.814235 (E_RNA) where: Base-Base interactions energy: -22.187 where: short stacking energy: -22.187 Base-Backbone interact. energy: -0.000 local terms energy: -26.627430 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.921 flat angles P-C4'-P energy: -1.643 tors. eta vs tors. theta energy: -7.255 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: 3 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -50.565532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.565532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.565532 (E_RNA) where: Base-Base interactions energy: -22.871 where: short stacking energy: -21.837 Base-Backbone interact. energy: -1.098 local terms energy: -26.596330 where: bonds (distance) C4'-P energy: -4.996 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -6.432 flat angles P-C4'-P energy: -3.716 tors. eta vs tors. theta energy: -5.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -46.472409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.472409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.472409 (E_RNA) where: Base-Base interactions energy: -21.036 where: short stacking energy: -11.182 Base-Backbone interact. energy: -0.000 local terms energy: -25.436323 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.828 flat angles P-C4'-P energy: -5.308 tors. eta vs tors. theta energy: -2.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -41.724081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.724081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.724081 (E_RNA) where: Base-Base interactions energy: -15.147 where: short stacking energy: -15.147 Base-Backbone interact. energy: -0.062 local terms energy: -26.514820 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -6.141 flat angles P-C4'-P energy: -4.753 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: 6, replica: 8 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -38.287112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.287112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.287112 (E_RNA) where: Base-Base interactions energy: -11.770 where: short stacking energy: -11.770 Base-Backbone interact. energy: -0.000 local terms energy: -26.517191 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.656 flat angles P-C4'-P energy: -4.536 tors. eta vs tors. theta energy: -3.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -38.883775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.883775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.883775 (E_RNA) where: Base-Base interactions energy: -17.253 where: short stacking energy: -15.400 Base-Backbone interact. energy: -0.000 local terms energy: -21.630716 where: bonds (distance) C4'-P energy: -2.785 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.943 flat angles P-C4'-P energy: -2.684 tors. eta vs tors. theta energy: -5.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -39.124188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.124188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.124188 (E_RNA) where: Base-Base interactions energy: -17.878 where: short stacking energy: -14.927 Base-Backbone interact. energy: -0.020 local terms energy: -21.225579 where: bonds (distance) C4'-P energy: -4.735 bonds (distance) P-C4' energy: -5.606 flat angles C4'-P-C4' energy: -4.321 flat angles P-C4'-P energy: -3.091 tors. eta vs tors. theta energy: -3.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -38.134750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.134750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.134750 (E_RNA) where: Base-Base interactions energy: -16.617 where: short stacking energy: -16.617 Base-Backbone interact. energy: -0.000 local terms energy: -21.517972 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -2.840 flat angles C4'-P-C4' energy: -3.656 flat angles P-C4'-P energy: -3.564 tors. eta vs tors. theta energy: -5.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -29.094573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.094573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.094573 (E_RNA) where: Base-Base interactions energy: -8.255 where: short stacking energy: -8.255 Base-Backbone interact. energy: -0.103 local terms energy: -20.736357 where: bonds (distance) C4'-P energy: -3.600 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -4.342 flat angles P-C4'-P energy: -4.877 tors. eta vs tors. theta energy: -1.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -42.312841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.312841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.312841 (E_RNA) where: Base-Base interactions energy: -24.352 where: short stacking energy: -9.306 Base-Backbone interact. energy: -0.113 local terms energy: -17.847713 where: bonds (distance) C4'-P energy: -4.703 bonds (distance) P-C4' energy: -6.135 flat angles C4'-P-C4' energy: -4.514 flat angles P-C4'-P energy: -4.837 tors. eta vs tors. theta energy: 2.341 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: 9 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -46.917149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.917149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.917149 (E_RNA) where: Base-Base interactions energy: -20.049 where: short stacking energy: -20.049 Base-Backbone interact. energy: -0.000 local terms energy: -26.867741 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -5.705 flat angles C4'-P-C4' energy: -6.121 flat angles P-C4'-P energy: -3.841 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: 3, replica: 7 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -47.375397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.375397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.375397 (E_RNA) where: Base-Base interactions energy: -19.187 where: short stacking energy: -19.187 Base-Backbone interact. energy: -0.000 local terms energy: -28.187721 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.889 flat angles C4'-P-C4' energy: -5.373 flat angles P-C4'-P energy: -5.069 tors. eta vs tors. theta energy: -4.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -42.133634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.133634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.133634 (E_RNA) where: Base-Base interactions energy: -19.008 where: short stacking energy: -16.489 Base-Backbone interact. energy: -0.001 local terms energy: -23.125209 where: bonds (distance) C4'-P energy: -4.508 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -4.630 flat angles P-C4'-P energy: -3.875 tors. eta vs tors. theta energy: -4.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -39.450354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.450354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.450354 (E_RNA) where: Base-Base interactions energy: -18.230 where: short stacking energy: -18.230 Base-Backbone interact. energy: -0.012 local terms energy: -21.208464 where: bonds (distance) C4'-P energy: -5.295 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -0.324 flat angles P-C4'-P energy: -5.049 tors. eta vs tors. theta energy: -5.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -39.482185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.482185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.482185 (E_RNA) where: Base-Base interactions energy: -17.517 where: short stacking energy: -17.517 Base-Backbone interact. energy: -0.000 local terms energy: -21.965186 where: bonds (distance) C4'-P energy: -5.349 bonds (distance) P-C4' energy: -5.110 flat angles C4'-P-C4' energy: -4.967 flat angles P-C4'-P energy: -4.728 tors. eta vs tors. theta energy: -1.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -30.631325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.631325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.631325 (E_RNA) where: Base-Base interactions energy: -11.497 where: short stacking energy: -11.497 Base-Backbone interact. energy: -0.000 local terms energy: -19.134333 where: bonds (distance) C4'-P energy: -4.367 bonds (distance) P-C4' energy: -5.107 flat angles C4'-P-C4' energy: -5.597 flat angles P-C4'-P energy: -2.957 tors. eta vs tors. theta energy: -1.107 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: 8, replica: 2 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -36.274196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.274196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.274196 (E_RNA) where: Base-Base interactions energy: -15.244 where: short stacking energy: -15.244 Base-Backbone interact. energy: -0.003 local terms energy: -21.026775 where: bonds (distance) C4'-P energy: -2.479 bonds (distance) P-C4' energy: -1.177 flat angles C4'-P-C4' energy: -4.600 flat angles P-C4'-P energy: -5.430 tors. eta vs tors. theta energy: -7.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -34.749789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.749789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.749789 (E_RNA) where: Base-Base interactions energy: -15.502 where: short stacking energy: -15.502 Base-Backbone interact. energy: -0.000 local terms energy: -19.247914 where: bonds (distance) C4'-P energy: -3.494 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.097 flat angles P-C4'-P energy: -3.446 tors. eta vs tors. theta energy: -1.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -31.075422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.075422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.075422 (E_RNA) where: Base-Base interactions energy: -13.032 where: short stacking energy: -13.032 Base-Backbone interact. energy: -0.003 local terms energy: -18.040056 where: bonds (distance) C4'-P energy: -3.986 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -4.089 flat angles P-C4'-P energy: -3.251 tors. eta vs tors. theta energy: -1.568 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: 4 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -49.571627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.571627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.571627 (E_RNA) where: Base-Base interactions energy: -21.035 where: short stacking energy: -21.035 Base-Backbone interact. energy: -0.006 local terms energy: -28.530657 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.019 flat angles P-C4'-P energy: -3.663 tors. eta vs tors. theta energy: -6.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -42.096614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.096614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.096614 (E_RNA) where: Base-Base interactions energy: -17.272 where: short stacking energy: -17.272 Base-Backbone interact. energy: -0.000 local terms energy: -24.824935 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.918 flat angles C4'-P-C4' energy: -5.584 flat angles P-C4'-P energy: -3.674 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: 3, replica: 9 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -42.435592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.435592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.435592 (E_RNA) where: Base-Base interactions energy: -16.705 where: short stacking energy: -16.705 Base-Backbone interact. energy: -0.000 local terms energy: -25.730386 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.856 flat angles P-C4'-P energy: -3.893 tors. eta vs tors. theta energy: -4.778 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: 8 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -41.255447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.255447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.255447 (E_RNA) where: Base-Base interactions energy: -15.295 where: short stacking energy: -15.295 Base-Backbone interact. energy: -0.056 local terms energy: -25.904300 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -3.187 flat angles C4'-P-C4' energy: -6.004 flat angles P-C4'-P energy: -5.405 tors. eta vs tors. theta energy: -5.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -38.208192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.208192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.208192 (E_RNA) where: Base-Base interactions energy: -17.158 where: short stacking energy: -17.158 Base-Backbone interact. energy: -0.098 local terms energy: -20.951747 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -4.356 flat angles C4'-P-C4' energy: -4.334 flat angles P-C4'-P energy: -4.391 tors. eta vs tors. theta energy: -2.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -42.688275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.688275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.688275 (E_RNA) where: Base-Base interactions energy: -19.004 where: short stacking energy: -19.004 Base-Backbone interact. energy: -0.000 local terms energy: -23.683610 where: bonds (distance) C4'-P energy: -4.719 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -6.673 flat angles P-C4'-P energy: -2.429 tors. eta vs tors. theta energy: -4.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -41.220254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.220254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.220254 (E_RNA) where: Base-Base interactions energy: -20.437 where: short stacking energy: -14.420 Base-Backbone interact. energy: -0.121 local terms energy: -20.661951 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.077 flat angles P-C4'-P energy: -2.343 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: 5 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -35.112823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.112823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.112823 (E_RNA) where: Base-Base interactions energy: -16.603 where: short stacking energy: -16.603 Base-Backbone interact. energy: -0.020 local terms energy: -18.490125 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.033 flat angles P-C4'-P energy: 1.928 tors. eta vs tors. theta energy: -2.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -33.111937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.111937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.111937 (E_RNA) where: Base-Base interactions energy: -13.118 where: short stacking energy: -12.065 Base-Backbone interact. energy: -0.000 local terms energy: -19.993762 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -2.815 flat angles C4'-P-C4' energy: -6.078 flat angles P-C4'-P energy: -0.992 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: 10 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -37.006301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.006301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.006301 (E_RNA) where: Base-Base interactions energy: -17.115 where: short stacking energy: -17.115 Base-Backbone interact. energy: -0.099 local terms energy: -19.791392 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -3.758 flat angles P-C4'-P energy: -3.006 tors. eta vs tors. theta energy: -2.639 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: 7 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -44.125633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.125633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.125633 (E_RNA) where: Base-Base interactions energy: -21.661 where: short stacking energy: -21.661 Base-Backbone interact. energy: -0.038 local terms energy: -22.426747 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -2.955 flat angles C4'-P-C4' energy: -5.150 flat angles P-C4'-P energy: -4.971 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: 2, replica: 4 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -39.706816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.706816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.706816 (E_RNA) where: Base-Base interactions energy: -14.852 where: short stacking energy: -11.284 Base-Backbone interact. energy: -0.001 local terms energy: -24.854189 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.620 flat angles P-C4'-P energy: -4.141 tors. eta vs tors. theta energy: -2.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -46.465520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.465520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.465520 (E_RNA) where: Base-Base interactions energy: -28.150 where: short stacking energy: -10.809 Base-Backbone interact. energy: -0.010 local terms energy: -18.305549 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -4.613 flat angles P-C4'-P energy: -1.289 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: 4, replica: 9 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -44.509420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.509420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.509420 (E_RNA) where: Base-Base interactions energy: -21.406 where: short stacking energy: -21.406 Base-Backbone interact. energy: -0.000 local terms energy: -23.103598 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.360 flat angles P-C4'-P energy: -3.434 tors. eta vs tors. theta energy: -3.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -42.049502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.049502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.049502 (E_RNA) where: Base-Base interactions energy: -16.298 where: short stacking energy: -13.074 Base-Backbone interact. energy: -0.000 local terms energy: -25.751781 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -4.336 flat angles C4'-P-C4' energy: -5.722 flat angles P-C4'-P energy: -4.662 tors. eta vs tors. theta energy: -5.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -38.379132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.379132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.379132 (E_RNA) where: Base-Base interactions energy: -15.994 where: short stacking energy: -15.994 Base-Backbone interact. energy: -0.000 local terms energy: -22.385445 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -3.645 flat angles P-C4'-P energy: -4.309 tors. eta vs tors. theta energy: -2.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -41.755109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.755109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.755109 (E_RNA) where: Base-Base interactions energy: -16.512 where: short stacking energy: -16.512 Base-Backbone interact. energy: -0.000 local terms energy: -25.243584 where: bonds (distance) C4'-P energy: -4.639 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.214 flat angles P-C4'-P energy: -2.633 tors. eta vs tors. theta energy: -6.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -35.331052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.331052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.331052 (E_RNA) where: Base-Base interactions energy: -14.349 where: short stacking energy: -13.384 Base-Backbone interact. energy: -0.029 local terms energy: -20.952562 where: bonds (distance) C4'-P energy: -4.570 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -4.555 flat angles P-C4'-P energy: -5.126 tors. eta vs tors. theta energy: -2.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -31.683415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.683415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.683415 (E_RNA) where: Base-Base interactions energy: -14.312 where: short stacking energy: -14.312 Base-Backbone interact. energy: -0.027 local terms energy: -17.345185 where: bonds (distance) C4'-P energy: -4.251 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -1.418 flat angles P-C4'-P energy: -2.238 tors. eta vs tors. theta energy: -3.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -37.229275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.229275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.229275 (E_RNA) where: Base-Base interactions energy: -19.131 where: short stacking energy: -10.879 Base-Backbone interact. energy: 0.465 local terms energy: -18.563225 where: bonds (distance) C4'-P energy: -1.382 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -3.094 flat angles P-C4'-P energy: -5.345 tors. eta vs tors. theta energy: -2.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -49.597539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.597539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.597539 (E_RNA) where: Base-Base interactions energy: -21.011 where: short stacking energy: -21.011 Base-Backbone interact. energy: -0.000 local terms energy: -28.586880 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -5.856 flat angles P-C4'-P energy: -4.544 tors. eta vs tors. theta energy: -5.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -41.344836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.344836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.344836 (E_RNA) where: Base-Base interactions energy: -18.015 where: short stacking energy: -13.592 Base-Backbone interact. energy: -0.029 local terms energy: -23.301436 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -6.149 flat angles C4'-P-C4' energy: -5.816 flat angles P-C4'-P energy: -3.196 tors. eta vs tors. theta energy: -2.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -46.596034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.596034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.596034 (E_RNA) where: Base-Base interactions energy: -20.480 where: short stacking energy: -20.480 Base-Backbone interact. energy: -0.014 local terms energy: -26.102016 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -6.248 flat angles P-C4'-P energy: -3.948 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: 4, replica: 3 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -47.406077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.406077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.406077 (E_RNA) where: Base-Base interactions energy: -20.733 where: short stacking energy: -20.733 Base-Backbone interact. energy: -0.000 local terms energy: -26.672771 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.532 flat angles P-C4'-P energy: -3.541 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: 5, replica: 9 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -39.858409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.858409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.858409 (E_RNA) where: Base-Base interactions energy: -17.587 where: short stacking energy: -17.587 Base-Backbone interact. energy: -0.000 local terms energy: -22.270666 where: bonds (distance) C4'-P energy: -4.206 bonds (distance) P-C4' energy: -4.293 flat angles C4'-P-C4' energy: -5.513 flat angles P-C4'-P energy: -2.892 tors. eta vs tors. theta energy: -5.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -38.036189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.036189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.036189 (E_RNA) where: Base-Base interactions energy: -14.392 where: short stacking energy: -14.392 Base-Backbone interact. energy: -0.000 local terms energy: -23.644084 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -4.307 flat angles P-C4'-P energy: -3.882 tors. eta vs tors. theta energy: -4.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -42.755759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.755759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.755759 (E_RNA) where: Base-Base interactions energy: -18.731 where: short stacking energy: -18.731 Base-Backbone interact. energy: -0.004 local terms energy: -24.020628 where: bonds (distance) C4'-P energy: -3.944 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -5.474 flat angles P-C4'-P energy: -5.260 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: 10 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -34.771064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.771064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.771064 (E_RNA) where: Base-Base interactions energy: -13.530 where: short stacking energy: -13.530 Base-Backbone interact. energy: -0.005 local terms energy: -21.235868 where: bonds (distance) C4'-P energy: -4.631 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -4.141 flat angles P-C4'-P energy: -3.292 tors. eta vs tors. theta energy: -3.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -35.413132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.413132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.413132 (E_RNA) where: Base-Base interactions energy: -14.961 where: short stacking energy: -13.585 Base-Backbone interact. energy: -0.068 local terms energy: -20.383990 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -3.721 flat angles C4'-P-C4' energy: -6.166 flat angles P-C4'-P energy: -3.230 tors. eta vs tors. theta energy: -1.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -32.232974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.232974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.232974 (E_RNA) where: Base-Base interactions energy: -14.311 where: short stacking energy: -4.713 Base-Backbone interact. energy: -0.064 local terms energy: -17.857934 where: bonds (distance) C4'-P energy: -4.570 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.560 flat angles P-C4'-P energy: -2.088 tors. eta vs tors. theta energy: 0.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -50.185350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.185350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.185350 (E_RNA) where: Base-Base interactions energy: -22.388 where: short stacking energy: -22.388 Base-Backbone interact. energy: -0.000 local terms energy: -27.797780 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.364 flat angles C4'-P-C4' energy: -6.251 flat angles P-C4'-P energy: -4.660 tors. eta vs tors. theta energy: -4.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -41.420659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.420659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.420659 (E_RNA) where: Base-Base interactions energy: -16.137 where: short stacking energy: -16.137 Base-Backbone interact. energy: -0.000 local terms energy: -25.283660 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.626 flat angles P-C4'-P energy: -3.545 tors. eta vs tors. theta energy: -3.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -46.016329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.016329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.016329 (E_RNA) where: Base-Base interactions energy: -21.577 where: short stacking energy: -21.577 Base-Backbone interact. energy: -0.013 local terms energy: -24.426257 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.067 flat angles P-C4'-P energy: -4.012 tors. eta vs tors. theta energy: -3.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -42.366385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.366385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.366385 (E_RNA) where: Base-Base interactions energy: -18.090 where: short stacking energy: -18.090 Base-Backbone interact. energy: -0.002 local terms energy: -24.274323 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.894 flat angles P-C4'-P energy: -3.198 tors. eta vs tors. theta energy: -2.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -44.413043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.413043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.413043 (E_RNA) where: Base-Base interactions energy: -21.421 where: short stacking energy: -12.375 Base-Backbone interact. energy: -0.004 local terms energy: -22.988003 where: bonds (distance) C4'-P energy: -6.254 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.412 flat angles P-C4'-P energy: -4.194 tors. eta vs tors. theta energy: -0.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -40.290595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.290595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.290595 (E_RNA) where: Base-Base interactions energy: -18.294 where: short stacking energy: -18.294 Base-Backbone interact. energy: -0.000 local terms energy: -21.996352 where: bonds (distance) C4'-P energy: -3.601 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -5.733 flat angles P-C4'-P energy: -2.464 tors. eta vs tors. theta energy: -3.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -37.276932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.276932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.276932 (E_RNA) where: Base-Base interactions energy: -11.798 where: short stacking energy: -12.598 Base-Backbone interact. energy: -0.000 local terms energy: -25.478831 where: bonds (distance) C4'-P energy: -5.373 bonds (distance) P-C4' energy: -5.150 flat angles C4'-P-C4' energy: -6.428 flat angles P-C4'-P energy: -4.123 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: 8, replica: 1 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -39.198447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.198447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.198447 (E_RNA) where: Base-Base interactions energy: -16.955 where: short stacking energy: -16.955 Base-Backbone interact. energy: -0.000 local terms energy: -22.242895 where: bonds (distance) C4'-P energy: -5.306 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -5.149 flat angles P-C4'-P energy: -3.464 tors. eta vs tors. theta energy: -3.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -30.144507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.144507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.144507 (E_RNA) where: Base-Base interactions energy: -14.327 where: short stacking energy: -14.327 Base-Backbone interact. energy: -0.002 local terms energy: -15.815691 where: bonds (distance) C4'-P energy: 1.650 bonds (distance) P-C4' energy: -5.512 flat angles C4'-P-C4' energy: -5.960 flat angles P-C4'-P energy: -2.101 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: 10, replica: 6 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -39.212376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.212376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.212376 (E_RNA) where: Base-Base interactions energy: -19.413 where: short stacking energy: -11.677 Base-Backbone interact. energy: -0.001 local terms energy: -19.798442 where: bonds (distance) C4'-P energy: -4.806 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.961 flat angles P-C4'-P energy: -0.086 tors. eta vs tors. theta energy: -2.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -43.406644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.406644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.406644 (E_RNA) where: Base-Base interactions energy: -18.253 where: short stacking energy: -18.253 Base-Backbone interact. energy: -0.000 local terms energy: -25.153515 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -5.027 flat angles P-C4'-P energy: -2.920 tors. eta vs tors. theta energy: -5.019 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: 3 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -46.162948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.162948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.162948 (E_RNA) where: Base-Base interactions energy: -21.845 where: short stacking energy: -21.845 Base-Backbone interact. energy: -0.000 local terms energy: -24.317885 where: bonds (distance) C4'-P energy: -3.982 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.817 flat angles P-C4'-P energy: -1.988 tors. eta vs tors. theta energy: -6.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -42.642537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.642537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.642537 (E_RNA) where: Base-Base interactions energy: -21.463 where: short stacking energy: -11.176 Base-Backbone interact. energy: -0.025 local terms energy: -21.154371 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -5.131 flat angles C4'-P-C4' energy: -6.294 flat angles P-C4'-P energy: -1.445 tors. eta vs tors. theta energy: -2.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -38.879472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.879472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.879472 (E_RNA) where: Base-Base interactions energy: -17.452 where: short stacking energy: -17.452 Base-Backbone interact. energy: -0.000 local terms energy: -21.427425 where: bonds (distance) C4'-P energy: -2.942 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.077 flat angles P-C4'-P energy: -3.372 tors. eta vs tors. theta energy: -3.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -38.729640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.729640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.729640 (E_RNA) where: Base-Base interactions energy: -16.776 where: short stacking energy: -14.845 Base-Backbone interact. energy: -0.000 local terms energy: -21.953467 where: bonds (distance) C4'-P energy: -4.532 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -4.920 flat angles P-C4'-P energy: -2.784 tors. eta vs tors. theta energy: -2.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -43.428270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.428270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.428270 (E_RNA) where: Base-Base interactions energy: -17.916 where: short stacking energy: -17.916 Base-Backbone interact. energy: -0.000 local terms energy: -25.512710 where: bonds (distance) C4'-P energy: -5.277 bonds (distance) P-C4' energy: -4.530 flat angles C4'-P-C4' energy: -5.835 flat angles P-C4'-P energy: -4.240 tors. eta vs tors. theta energy: -5.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -38.254378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.254378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.254378 (E_RNA) where: Base-Base interactions energy: -19.361 where: short stacking energy: -15.496 Base-Backbone interact. energy: -0.794 local terms energy: -18.099102 where: bonds (distance) C4'-P energy: -4.525 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -5.220 flat angles P-C4'-P energy: -3.419 tors. eta vs tors. theta energy: -0.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -43.841641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.841641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.841641 (E_RNA) where: Base-Base interactions energy: -21.243 where: short stacking energy: -16.794 Base-Backbone interact. energy: -0.508 local terms energy: -22.090797 where: bonds (distance) C4'-P energy: -3.236 bonds (distance) P-C4' energy: -5.441 flat angles C4'-P-C4' energy: -5.559 flat angles P-C4'-P energy: -4.590 tors. eta vs tors. theta energy: -3.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -31.228123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.228123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.228123 (E_RNA) where: Base-Base interactions energy: -13.295 where: short stacking energy: -13.295 Base-Backbone interact. energy: -0.004 local terms energy: -17.929229 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -3.320 flat angles P-C4'-P energy: 0.803 tors. eta vs tors. theta energy: -3.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -38.749736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.749736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.749736 (E_RNA) where: Base-Base interactions energy: -17.029 where: short stacking energy: -12.923 Base-Backbone interact. energy: -0.111 local terms energy: -21.609397 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -5.777 flat angles P-C4'-P energy: -3.004 tors. eta vs tors. theta energy: -1.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -56.355594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.355594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.355594 (E_RNA) where: Base-Base interactions energy: -36.788 where: short stacking energy: -18.379 Base-Backbone interact. energy: -0.005 local terms energy: -19.562784 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -5.720 flat angles P-C4'-P energy: -1.510 tors. eta vs tors. theta energy: -1.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -42.073458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.073458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.073458 (E_RNA) where: Base-Base interactions energy: -18.694 where: short stacking energy: -18.694 Base-Backbone interact. energy: -0.014 local terms energy: -23.365600 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.859 flat angles P-C4'-P energy: -0.739 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: 3, replica: 4 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -43.161084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.161084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.161084 (E_RNA) where: Base-Base interactions energy: -16.325 where: short stacking energy: -16.325 Base-Backbone interact. energy: -0.000 local terms energy: -26.836439 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -5.705 flat angles C4'-P-C4' energy: -6.097 flat angles P-C4'-P energy: -4.790 tors. eta vs tors. theta energy: -4.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -46.080063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.080063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.080063 (E_RNA) where: Base-Base interactions energy: -22.524 where: short stacking energy: -22.524 Base-Backbone interact. energy: -0.000 local terms energy: -23.556341 where: bonds (distance) C4'-P energy: -3.654 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -5.101 flat angles P-C4'-P energy: -2.987 tors. eta vs tors. theta energy: -5.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -43.719567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.719567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.719567 (E_RNA) where: Base-Base interactions energy: -20.820 where: short stacking energy: -20.820 Base-Backbone interact. energy: -0.000 local terms energy: -22.899104 where: bonds (distance) C4'-P energy: -4.843 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -3.256 flat angles P-C4'-P energy: -3.240 tors. eta vs tors. theta energy: -5.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -42.765393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.765393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.765393 (E_RNA) where: Base-Base interactions energy: -17.616 where: short stacking energy: -17.616 Base-Backbone interact. energy: -0.002 local terms energy: -25.147840 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -3.574 flat angles P-C4'-P energy: -3.888 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: 7, replica: 2 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -33.601211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.601211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.601211 (E_RNA) where: Base-Base interactions energy: -12.129 where: short stacking energy: -7.263 Base-Backbone interact. energy: -0.001 local terms energy: -21.471437 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -6.021 flat angles P-C4'-P energy: -4.583 tors. eta vs tors. theta energy: 0.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -35.381842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.381842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.381842 (E_RNA) where: Base-Base interactions energy: -14.779 where: short stacking energy: -14.779 Base-Backbone interact. energy: -0.091 local terms energy: -20.511819 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -4.495 flat angles P-C4'-P energy: -4.673 tors. eta vs tors. theta energy: -0.247 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: 1 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -34.750110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.750110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.750110 (E_RNA) where: Base-Base interactions energy: -17.116 where: short stacking energy: -8.387 Base-Backbone interact. energy: -0.399 local terms energy: -17.234875 where: bonds (distance) C4'-P energy: -4.629 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -4.073 flat angles P-C4'-P energy: -2.808 tors. eta vs tors. theta energy: 1.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -33.964702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.964702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.964702 (E_RNA) where: Base-Base interactions energy: -12.341 where: short stacking energy: -12.341 Base-Backbone interact. energy: 0.112 local terms energy: -21.735209 where: bonds (distance) C4'-P energy: -5.295 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -3.058 flat angles P-C4'-P energy: -3.644 tors. eta vs tors. theta energy: -3.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -51.766296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.766296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.766296 (E_RNA) where: Base-Base interactions energy: -22.935 where: short stacking energy: -22.935 Base-Backbone interact. energy: -0.000 local terms energy: -28.831461 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -5.438 flat angles C4'-P-C4' energy: -6.294 flat angles P-C4'-P energy: -5.079 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: 2, replica: 4 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -43.847159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.847159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.847159 (E_RNA) where: Base-Base interactions energy: -14.833 where: short stacking energy: -14.833 Base-Backbone interact. energy: -0.000 local terms energy: -29.014262 where: bonds (distance) C4'-P energy: -4.639 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -6.536 flat angles P-C4'-P energy: -4.375 tors. eta vs tors. theta energy: -7.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -38.537832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.537832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.537832 (E_RNA) where: Base-Base interactions energy: -18.396 where: short stacking energy: -12.554 Base-Backbone interact. energy: -0.023 local terms energy: -20.118074 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -5.277 flat angles P-C4'-P energy: -0.294 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: 4, replica: 10 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -44.686986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.686986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.686986 (E_RNA) where: Base-Base interactions energy: -19.698 where: short stacking energy: -19.698 Base-Backbone interact. energy: -0.063 local terms energy: -24.926859 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -4.557 flat angles C4'-P-C4' energy: -4.914 flat angles P-C4'-P energy: -4.495 tors. eta vs tors. theta energy: -5.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -44.851068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.851068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.851068 (E_RNA) where: Base-Base interactions energy: -21.301 where: short stacking energy: -21.301 Base-Backbone interact. energy: -0.000 local terms energy: -23.550536 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -4.742 flat angles C4'-P-C4' energy: -5.321 flat angles P-C4'-P energy: -3.123 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: 6, replica: 5 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -42.668443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.668443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.668443 (E_RNA) where: Base-Base interactions energy: -20.841 where: short stacking energy: -20.841 Base-Backbone interact. energy: -0.000 local terms energy: -21.827889 where: bonds (distance) C4'-P energy: -3.668 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -4.998 flat angles P-C4'-P energy: -1.342 tors. eta vs tors. theta energy: -5.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -31.971022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.971022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.971022 (E_RNA) where: Base-Base interactions energy: -10.815 where: short stacking energy: -8.610 Base-Backbone interact. energy: -0.158 local terms energy: -20.997694 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -2.511 flat angles P-C4'-P energy: -4.226 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: 8, replica: 1 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -31.292409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.292409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.292409 (E_RNA) where: Base-Base interactions energy: -8.418 where: short stacking energy: -8.226 Base-Backbone interact. energy: -0.073 local terms energy: -22.801158 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -5.864 flat angles C4'-P-C4' energy: -5.514 flat angles P-C4'-P energy: -4.124 tors. eta vs tors. theta energy: -1.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -37.184497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.184497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.184497 (E_RNA) where: Base-Base interactions energy: -14.280 where: short stacking energy: -14.280 Base-Backbone interact. energy: -0.038 local terms energy: -22.866045 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -4.758 flat angles C4'-P-C4' energy: -4.794 flat angles P-C4'-P energy: -2.981 tors. eta vs tors. theta energy: -4.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -32.020748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.020748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.020748 (E_RNA) where: Base-Base interactions energy: -8.335 where: short stacking energy: -8.335 Base-Backbone interact. energy: -0.080 local terms energy: -23.605256 where: bonds (distance) C4'-P energy: -3.786 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.953 flat angles P-C4'-P energy: -4.442 tors. eta vs tors. theta energy: -2.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -45.115713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.115713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.115713 (E_RNA) where: Base-Base interactions energy: -17.503 where: short stacking energy: -17.503 Base-Backbone interact. energy: -0.000 local terms energy: -27.613121 where: bonds (distance) C4'-P energy: -5.100 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.884 flat angles P-C4'-P energy: -4.009 tors. eta vs tors. theta energy: -4.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -49.377893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.377893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.377893 (E_RNA) where: Base-Base interactions energy: -21.573 where: short stacking energy: -21.573 Base-Backbone interact. energy: -0.037 local terms energy: -27.768038 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.855 flat angles P-C4'-P energy: -4.914 tors. eta vs tors. theta energy: -5.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -41.528433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.528433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.528433 (E_RNA) where: Base-Base interactions energy: -23.681 where: short stacking energy: -8.507 Base-Backbone interact. energy: -0.242 local terms energy: -17.604549 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -4.799 flat angles P-C4'-P energy: 0.690 tors. eta vs tors. theta energy: -1.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -48.365928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.365928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.365928 (E_RNA) where: Base-Base interactions energy: -21.953 where: short stacking energy: -21.953 Base-Backbone interact. energy: -0.000 local terms energy: -26.412731 where: bonds (distance) C4'-P energy: -5.737 bonds (distance) P-C4' energy: -4.646 flat angles C4'-P-C4' energy: -5.940 flat angles P-C4'-P energy: -2.569 tors. eta vs tors. theta energy: -7.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -38.106592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.106592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.106592 (E_RNA) where: Base-Base interactions energy: -14.877 where: short stacking energy: -14.877 Base-Backbone interact. energy: -0.010 local terms energy: -23.219921 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.128 flat angles P-C4'-P energy: -3.506 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: 6, replica: 5 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -38.468721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.468721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.468721 (E_RNA) where: Base-Base interactions energy: -15.260 where: short stacking energy: -15.260 Base-Backbone interact. energy: -0.078 local terms energy: -23.130248 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -3.681 flat angles P-C4'-P energy: -4.191 tors. eta vs tors. theta energy: -2.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -43.004417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.004417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.004417 (E_RNA) where: Base-Base interactions energy: -20.522 where: short stacking energy: -20.522 Base-Backbone interact. energy: 0.126 local terms energy: -22.608418 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.848 flat angles P-C4'-P energy: -2.091 tors. eta vs tors. theta energy: -4.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -38.961636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.961636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.961636 (E_RNA) where: Base-Base interactions energy: -16.100 where: short stacking energy: -15.551 Base-Backbone interact. energy: -0.006 local terms energy: -22.855905 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -3.245 flat angles P-C4'-P energy: -4.371 tors. eta vs tors. theta energy: -3.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -41.001988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.001988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.001988 (E_RNA) where: Base-Base interactions energy: -18.137 where: short stacking energy: -18.137 Base-Backbone interact. energy: -0.000 local terms energy: -22.864774 where: bonds (distance) C4'-P energy: -4.019 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.078 flat angles P-C4'-P energy: -0.547 tors. eta vs tors. theta energy: -6.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -26.254652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.254652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.254652 (E_RNA) where: Base-Base interactions energy: -4.916 where: short stacking energy: -4.916 Base-Backbone interact. energy: -0.109 local terms energy: -21.229379 where: bonds (distance) C4'-P energy: -3.982 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.130 flat angles P-C4'-P energy: -4.362 tors. eta vs tors. theta energy: -0.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -52.782174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.782174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.782174 (E_RNA) where: Base-Base interactions energy: -24.007 where: short stacking energy: -24.007 Base-Backbone interact. energy: -0.000 local terms energy: -28.775072 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -6.465 flat angles P-C4'-P energy: -2.420 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: 2, replica: 10 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -47.251184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.251184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.251184 (E_RNA) where: Base-Base interactions energy: -21.750 where: short stacking energy: -21.750 Base-Backbone interact. energy: -0.000 local terms energy: -25.501527 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.232 flat angles P-C4'-P energy: -2.876 tors. eta vs tors. theta energy: -4.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -43.651036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.651036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.651036 (E_RNA) where: Base-Base interactions energy: -14.504 where: short stacking energy: -14.504 Base-Backbone interact. energy: -0.000 local terms energy: -29.146680 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.884 flat angles P-C4'-P energy: -5.628 tors. eta vs tors. theta energy: -4.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -50.493468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.493468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.493468 (E_RNA) where: Base-Base interactions energy: -22.114 where: short stacking energy: -22.114 Base-Backbone interact. energy: -0.000 local terms energy: -28.379013 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -5.990 flat angles P-C4'-P energy: -3.241 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: 5, replica: 7 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -40.598630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.598630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.598630 (E_RNA) where: Base-Base interactions energy: -17.240 where: short stacking energy: -17.240 Base-Backbone interact. energy: -0.000 local terms energy: -23.358730 where: bonds (distance) C4'-P energy: -5.179 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -4.405 flat angles P-C4'-P energy: -4.792 tors. eta vs tors. theta energy: -2.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -39.642576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.642576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.642576 (E_RNA) where: Base-Base interactions energy: -13.406 where: short stacking energy: -13.406 Base-Backbone interact. energy: -0.086 local terms energy: -26.150592 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.631 flat angles C4'-P-C4' energy: -6.023 flat angles P-C4'-P energy: -2.951 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: 5 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -38.617768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.617768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.617768 (E_RNA) where: Base-Base interactions energy: -14.269 where: short stacking energy: -14.269 Base-Backbone interact. energy: -0.000 local terms energy: -24.348421 where: bonds (distance) C4'-P energy: -4.669 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.236 flat angles P-C4'-P energy: -5.035 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: 6 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -35.230240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.230240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.230240 (E_RNA) where: Base-Base interactions energy: -10.606 where: short stacking energy: -10.606 Base-Backbone interact. energy: -0.066 local terms energy: -24.557992 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.495 flat angles P-C4'-P energy: -5.090 tors. eta vs tors. theta energy: -2.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -33.622169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.622169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.622169 (E_RNA) where: Base-Base interactions energy: -11.589 where: short stacking energy: -11.589 Base-Backbone interact. energy: -0.001 local terms energy: -22.031754 where: bonds (distance) C4'-P energy: -4.160 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -3.193 flat angles P-C4'-P energy: -2.926 tors. eta vs tors. theta energy: -6.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -34.489778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.489778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.489778 (E_RNA) where: Base-Base interactions energy: -10.337 where: short stacking energy: -10.337 Base-Backbone interact. energy: -0.002 local terms energy: -24.151392 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -6.214 flat angles P-C4'-P energy: -4.025 tors. eta vs tors. theta energy: -2.001 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: 42 Temperature: 0.900000 Total energy: -47.005401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.005401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.005401 (E_RNA) where: Base-Base interactions energy: -21.739 where: short stacking energy: -21.739 Base-Backbone interact. energy: -0.000 local terms energy: -25.266782 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -5.512 flat angles C4'-P-C4' energy: -3.524 flat angles P-C4'-P energy: -3.537 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: 2, replica: 10 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -43.272805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.272805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.272805 (E_RNA) where: Base-Base interactions energy: -18.785 where: short stacking energy: -18.785 Base-Backbone interact. energy: -0.000 local terms energy: -24.487787 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -3.907 flat angles P-C4'-P energy: -3.307 tors. eta vs tors. theta energy: -4.284 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: 3, replica: 8 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -43.041005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.041005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.041005 (E_RNA) where: Base-Base interactions energy: -18.606 where: short stacking energy: -18.606 Base-Backbone interact. energy: -0.000 local terms energy: -24.435380 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -4.571 flat angles C4'-P-C4' energy: -5.780 flat angles P-C4'-P energy: -2.835 tors. eta vs tors. theta energy: -5.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -40.951832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.951832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.951832 (E_RNA) where: Base-Base interactions energy: -15.805 where: short stacking energy: -15.805 Base-Backbone interact. energy: -0.000 local terms energy: -25.146576 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.726 flat angles P-C4'-P energy: -3.774 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: 5, replica: 1 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -44.895300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.895300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.895300 (E_RNA) where: Base-Base interactions energy: -21.156 where: short stacking energy: -16.037 Base-Backbone interact. energy: -0.038 local terms energy: -23.701739 where: bonds (distance) C4'-P energy: -4.959 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.245 flat angles P-C4'-P energy: -4.736 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: 6, replica: 7 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -43.219992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.219992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.219992 (E_RNA) where: Base-Base interactions energy: -18.827 where: short stacking energy: -16.503 Base-Backbone interact. energy: -0.059 local terms energy: -24.334414 where: bonds (distance) C4'-P energy: -3.378 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.796 flat angles P-C4'-P energy: -4.908 tors. eta vs tors. theta energy: -3.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -42.517415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.517415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.517415 (E_RNA) where: Base-Base interactions energy: -15.949 where: short stacking energy: -15.949 Base-Backbone interact. energy: -0.000 local terms energy: -26.568346 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -5.743 flat angles P-C4'-P energy: -4.501 tors. eta vs tors. theta energy: -4.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -45.557723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.557723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.557723 (E_RNA) where: Base-Base interactions energy: -17.705 where: short stacking energy: -17.705 Base-Backbone interact. energy: -0.000 local terms energy: -27.852418 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.888 flat angles P-C4'-P energy: -2.868 tors. eta vs tors. theta energy: -5.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -34.605849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.605849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.605849 (E_RNA) where: Base-Base interactions energy: -13.185 where: short stacking energy: -13.185 Base-Backbone interact. energy: -0.012 local terms energy: -21.408524 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -5.196 flat angles C4'-P-C4' energy: -5.432 flat angles P-C4'-P energy: -4.209 tors. eta vs tors. theta energy: -1.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -28.920858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.920858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.920858 (E_RNA) where: Base-Base interactions energy: -10.609 where: short stacking energy: -4.971 Base-Backbone interact. energy: -0.089 local terms energy: -18.223164 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -5.233 flat angles P-C4'-P energy: -2.654 tors. eta vs tors. theta energy: 1.422 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: 4 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -48.327405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.327405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.327405 (E_RNA) where: Base-Base interactions energy: -20.661 where: short stacking energy: -20.661 Base-Backbone interact. energy: -0.000 local terms energy: -27.666418 where: bonds (distance) C4'-P energy: -5.216 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -6.029 flat angles P-C4'-P energy: -4.311 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: 2, replica: 8 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -39.545095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.545095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.545095 (E_RNA) where: Base-Base interactions energy: -17.063 where: short stacking energy: -14.849 Base-Backbone interact. energy: -0.054 local terms energy: -22.428092 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -5.699 flat angles C4'-P-C4' energy: -6.484 flat angles P-C4'-P energy: -4.170 tors. eta vs tors. theta energy: -0.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -41.051288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.051288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.051288 (E_RNA) where: Base-Base interactions energy: -19.864 where: short stacking energy: -19.864 Base-Backbone interact. energy: -0.000 local terms energy: -21.186965 where: bonds (distance) C4'-P energy: -3.378 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.583 flat angles P-C4'-P energy: -2.798 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: 4, replica: 3 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -48.461950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.461950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.461950 (E_RNA) where: Base-Base interactions energy: -21.977 where: short stacking energy: -21.977 Base-Backbone interact. energy: -0.000 local terms energy: -26.485118 where: bonds (distance) C4'-P energy: -4.185 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.398 flat angles P-C4'-P energy: -3.092 tors. eta vs tors. theta energy: -7.614 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: 1 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -43.239825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.239825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.239825 (E_RNA) where: Base-Base interactions energy: -18.159 where: short stacking energy: -18.159 Base-Backbone interact. energy: -0.008 local terms energy: -25.073073 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -3.880 flat angles C4'-P-C4' energy: -4.902 flat angles P-C4'-P energy: -4.986 tors. eta vs tors. theta energy: -5.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -37.795369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.795369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.795369 (E_RNA) where: Base-Base interactions energy: -13.620 where: short stacking energy: -13.620 Base-Backbone interact. energy: -0.001 local terms energy: -24.174354 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.890 flat angles P-C4'-P energy: -3.178 tors. eta vs tors. theta energy: -5.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -34.846980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.846980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.846980 (E_RNA) where: Base-Base interactions energy: -12.511 where: short stacking energy: -12.511 Base-Backbone interact. energy: -0.000 local terms energy: -22.336205 where: bonds (distance) C4'-P energy: -3.593 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -5.132 flat angles P-C4'-P energy: -3.684 tors. eta vs tors. theta energy: -5.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -34.424933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.424933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.424933 (E_RNA) where: Base-Base interactions energy: -12.704 where: short stacking energy: -12.704 Base-Backbone interact. energy: -0.000 local terms energy: -21.720561 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -4.386 flat angles C4'-P-C4' energy: -5.924 flat angles P-C4'-P energy: -2.457 tors. eta vs tors. theta energy: -3.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -39.886044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.886044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.886044 (E_RNA) where: Base-Base interactions energy: -19.329 where: short stacking energy: -19.329 Base-Backbone interact. energy: -0.088 local terms energy: -20.469234 where: bonds (distance) C4'-P energy: -2.284 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.376 flat angles P-C4'-P energy: -4.528 tors. eta vs tors. theta energy: -2.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -29.995428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.995428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.995428 (E_RNA) where: Base-Base interactions energy: -7.797 where: short stacking energy: -7.797 Base-Backbone interact. energy: -0.214 local terms energy: -21.984908 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.285 flat angles P-C4'-P energy: -4.961 tors. eta vs tors. theta energy: 0.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -53.822997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.822997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.822997 (E_RNA) where: Base-Base interactions energy: -26.623 where: short stacking energy: -26.623 Base-Backbone interact. energy: -0.000 local terms energy: -27.199586 where: bonds (distance) C4'-P energy: -4.106 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -6.284 flat angles P-C4'-P energy: -2.989 tors. eta vs tors. theta energy: -7.145 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: 4 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -44.635338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.635338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.635338 (E_RNA) where: Base-Base interactions energy: -20.353 where: short stacking energy: -20.353 Base-Backbone interact. energy: -0.000 local terms energy: -24.282067 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -5.758 flat angles C4'-P-C4' energy: -4.031 flat angles P-C4'-P energy: -2.965 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: 3, replica: 3 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -45.290707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.290707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.290707 (E_RNA) where: Base-Base interactions energy: -19.328 where: short stacking energy: -19.328 Base-Backbone interact. energy: -0.000 local terms energy: -25.962278 where: bonds (distance) C4'-P energy: -4.222 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.993 flat angles P-C4'-P energy: -4.107 tors. eta vs tors. theta energy: -4.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -38.644285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.644285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.644285 (E_RNA) where: Base-Base interactions energy: -17.207 where: short stacking energy: -17.207 Base-Backbone interact. energy: -0.097 local terms energy: -21.340167 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -2.331 flat angles P-C4'-P energy: -3.941 tors. eta vs tors. theta energy: -3.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -41.736226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.736226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.736226 (E_RNA) where: Base-Base interactions energy: -17.999 where: short stacking energy: -13.259 Base-Backbone interact. energy: -0.000 local terms energy: -23.737022 where: bonds (distance) C4'-P energy: -3.929 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -4.727 flat angles P-C4'-P energy: -4.097 tors. eta vs tors. theta energy: -4.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -38.762250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.762250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.762250 (E_RNA) where: Base-Base interactions energy: -15.439 where: short stacking energy: -15.439 Base-Backbone interact. energy: -0.000 local terms energy: -23.322845 where: bonds (distance) C4'-P energy: -5.287 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -4.060 flat angles P-C4'-P energy: -4.059 tors. eta vs tors. theta energy: -3.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -31.582375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.582375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.582375 (E_RNA) where: Base-Base interactions energy: -10.154 where: short stacking energy: -10.154 Base-Backbone interact. energy: -0.015 local terms energy: -21.413283 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -1.899 flat angles P-C4'-P energy: -5.479 tors. eta vs tors. theta energy: -1.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -41.662732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.662732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.662732 (E_RNA) where: Base-Base interactions energy: -21.748 where: short stacking energy: -15.403 Base-Backbone interact. energy: -0.002 local terms energy: -19.912421 where: bonds (distance) C4'-P energy: -4.454 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -3.186 flat angles P-C4'-P energy: -4.324 tors. eta vs tors. theta energy: -2.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -32.411400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.411400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.411400 (E_RNA) where: Base-Base interactions energy: -14.820 where: short stacking energy: -4.093 Base-Backbone interact. energy: -0.094 local terms energy: -17.497488 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -2.799 flat angles P-C4'-P energy: -4.083 tors. eta vs tors. theta energy: 2.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -31.940740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.940740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.940740 (E_RNA) where: Base-Base interactions energy: -8.938 where: short stacking energy: -8.938 Base-Backbone interact. energy: -0.001 local terms energy: -23.001419 where: bonds (distance) C4'-P energy: -6.254 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -3.587 flat angles P-C4'-P energy: -4.779 tors. eta vs tors. theta energy: -1.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -43.931290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.931290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.931290 (E_RNA) where: Base-Base interactions energy: -18.268 where: short stacking energy: -18.268 Base-Backbone interact. energy: -0.006 local terms energy: -25.657537 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.737 flat angles P-C4'-P energy: -4.253 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: 2, replica: 3 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -56.577518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.577518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.577518 (E_RNA) where: Base-Base interactions energy: -30.291 where: short stacking energy: -17.003 Base-Backbone interact. energy: -0.000 local terms energy: -26.286457 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.078 flat angles P-C4'-P energy: -4.074 tors. eta vs tors. theta energy: -4.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -41.532839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.532839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.532839 (E_RNA) where: Base-Base interactions energy: -18.395 where: short stacking energy: -12.910 Base-Backbone interact. energy: -0.000 local terms energy: -23.137514 where: bonds (distance) C4'-P energy: -5.161 bonds (distance) P-C4' energy: -5.410 flat angles C4'-P-C4' energy: -5.381 flat angles P-C4'-P energy: -3.889 tors. eta vs tors. theta energy: -3.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -48.841822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.841822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.841822 (E_RNA) where: Base-Base interactions energy: -22.203 where: short stacking energy: -22.203 Base-Backbone interact. energy: -0.000 local terms energy: -26.639313 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -5.826 flat angles P-C4'-P energy: -3.249 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: 5, replica: 10 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -40.756790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.756790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.756790 (E_RNA) where: Base-Base interactions energy: -20.204 where: short stacking energy: -15.914 Base-Backbone interact. energy: -0.001 local terms energy: -20.551193 where: bonds (distance) C4'-P energy: -3.493 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -5.766 flat angles P-C4'-P energy: -3.453 tors. eta vs tors. theta energy: -2.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -38.086607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.086607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.086607 (E_RNA) where: Base-Base interactions energy: -14.521 where: short stacking energy: -14.521 Base-Backbone interact. energy: -0.000 local terms energy: -23.564963 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.169 flat angles P-C4'-P energy: -4.941 tors. eta vs tors. theta energy: -0.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -34.950827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.950827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.950827 (E_RNA) where: Base-Base interactions energy: -11.953 where: short stacking energy: -4.886 Base-Backbone interact. energy: -0.024 local terms energy: -22.973679 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -4.781 flat angles P-C4'-P energy: -5.136 tors. eta vs tors. theta energy: -0.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -40.808515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.808515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.808515 (E_RNA) where: Base-Base interactions energy: -17.896 where: short stacking energy: -17.896 Base-Backbone interact. energy: -0.000 local terms energy: -22.912961 where: bonds (distance) C4'-P energy: -4.913 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -5.546 flat angles P-C4'-P energy: -3.475 tors. eta vs tors. theta energy: -3.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -37.747874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.747874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.747874 (E_RNA) where: Base-Base interactions energy: -15.244 where: short stacking energy: -15.244 Base-Backbone interact. energy: -0.017 local terms energy: -22.486054 where: bonds (distance) C4'-P energy: -5.067 bonds (distance) P-C4' energy: -4.135 flat angles C4'-P-C4' energy: -6.162 flat angles P-C4'-P energy: -2.400 tors. eta vs tors. theta energy: -4.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -31.918420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.918420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.918420 (E_RNA) where: Base-Base interactions energy: -11.879 where: short stacking energy: -10.073 Base-Backbone interact. energy: -0.050 local terms energy: -19.989740 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -5.051 flat angles C4'-P-C4' energy: -4.130 flat angles P-C4'-P energy: -3.785 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: 3 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -57.849175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.849175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.849175 (E_RNA) where: Base-Base interactions energy: -31.911 where: short stacking energy: -16.915 Base-Backbone interact. energy: -0.009 local terms energy: -25.928778 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -6.334 flat angles P-C4'-P energy: -3.456 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: 2, replica: 8 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -54.443935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.443935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.443935 (E_RNA) where: Base-Base interactions energy: -25.321 where: short stacking energy: -25.321 Base-Backbone interact. energy: -0.000 local terms energy: -29.122815 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.870 flat angles P-C4'-P energy: -4.013 tors. eta vs tors. theta energy: -6.857 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: 3, replica: 6 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -48.936631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.936631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.936631 (E_RNA) where: Base-Base interactions energy: -22.387 where: short stacking energy: -22.387 Base-Backbone interact. energy: -0.000 local terms energy: -26.549136 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -4.414 flat angles C4'-P-C4' energy: -5.496 flat angles P-C4'-P energy: -5.500 tors. eta vs tors. theta energy: -5.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -46.888092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.888092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.888092 (E_RNA) where: Base-Base interactions energy: -24.379 where: short stacking energy: -15.178 Base-Backbone interact. energy: -0.095 local terms energy: -22.414039 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -5.892 flat angles C4'-P-C4' energy: -5.430 flat angles P-C4'-P energy: -4.116 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: 5, replica: 10 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -44.230775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.230775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.230775 (E_RNA) where: Base-Base interactions energy: -21.205 where: short stacking energy: -17.382 Base-Backbone interact. energy: -0.013 local terms energy: -23.013360 where: bonds (distance) C4'-P energy: -4.252 bonds (distance) P-C4' energy: -5.970 flat angles C4'-P-C4' energy: -6.118 flat angles P-C4'-P energy: -3.676 tors. eta vs tors. theta energy: -2.999 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: 46 Temperature: 1.150000 Total energy: -37.120181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.120181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.120181 (E_RNA) where: Base-Base interactions energy: -20.286 where: short stacking energy: -20.286 Base-Backbone interact. energy: -0.000 local terms energy: -16.833882 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -0.768 flat angles C4'-P-C4' energy: -2.912 flat angles P-C4'-P energy: -4.835 tors. eta vs tors. theta energy: -4.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -39.988033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.988033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.988033 (E_RNA) where: Base-Base interactions energy: -19.710 where: short stacking energy: -19.710 Base-Backbone interact. energy: -0.001 local terms energy: -20.277211 where: bonds (distance) C4'-P energy: -4.864 bonds (distance) P-C4' energy: -2.591 flat angles C4'-P-C4' energy: -4.934 flat angles P-C4'-P energy: -4.472 tors. eta vs tors. theta energy: -3.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -41.236404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.236404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.236404 (E_RNA) where: Base-Base interactions energy: -17.235 where: short stacking energy: -17.235 Base-Backbone interact. energy: -0.000 local terms energy: -24.001456 where: bonds (distance) C4'-P energy: -5.306 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -5.284 flat angles P-C4'-P energy: -2.709 tors. eta vs tors. theta energy: -4.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -30.527428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.527428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.527428 (E_RNA) where: Base-Base interactions energy: -12.777 where: short stacking energy: -12.777 Base-Backbone interact. energy: -0.007 local terms energy: -17.743677 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -0.178 flat angles P-C4'-P energy: -1.858 tors. eta vs tors. theta energy: -3.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -32.941544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.941544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.941544 (E_RNA) where: Base-Base interactions energy: -9.400 where: short stacking energy: -9.400 Base-Backbone interact. energy: -0.000 local terms energy: -23.542036 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -4.978 flat angles P-C4'-P energy: -4.727 tors. eta vs tors. theta energy: -2.239 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: 3 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -48.506892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.506892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.506892 (E_RNA) where: Base-Base interactions energy: -23.598 where: short stacking energy: -23.598 Base-Backbone interact. energy: -0.009 local terms energy: -24.900047 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.486 flat angles P-C4'-P energy: -2.885 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: 2, replica: 8 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -49.583795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.583795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.583795 (E_RNA) where: Base-Base interactions energy: -23.475 where: short stacking energy: -23.475 Base-Backbone interact. energy: -0.000 local terms energy: -26.108958 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -5.449 flat angles P-C4'-P energy: -2.827 tors. eta vs tors. theta energy: -6.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -47.007252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.007252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.007252 (E_RNA) where: Base-Base interactions energy: -22.242 where: short stacking energy: -22.242 Base-Backbone interact. energy: -0.000 local terms energy: -24.765308 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -5.175 flat angles P-C4'-P energy: -3.716 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: 4, replica: 10 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -42.028590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.028590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.028590 (E_RNA) where: Base-Base interactions energy: -19.688 where: short stacking energy: -19.688 Base-Backbone interact. energy: -0.000 local terms energy: -22.340275 where: bonds (distance) C4'-P energy: -4.251 bonds (distance) P-C4' energy: -3.708 flat angles C4'-P-C4' energy: -5.955 flat angles P-C4'-P energy: -3.996 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: 4 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -38.138780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.138780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.138780 (E_RNA) where: Base-Base interactions energy: -21.918 where: short stacking energy: -14.103 Base-Backbone interact. energy: -0.040 local terms energy: -16.180943 where: bonds (distance) C4'-P energy: -2.719 bonds (distance) P-C4' energy: -5.429 flat angles C4'-P-C4' energy: -5.646 flat angles P-C4'-P energy: -2.503 tors. eta vs tors. theta energy: 0.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -36.783123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.783123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.783123 (E_RNA) where: Base-Base interactions energy: -12.390 where: short stacking energy: -11.707 Base-Backbone interact. energy: -0.003 local terms energy: -24.390202 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -4.552 flat angles P-C4'-P energy: -4.039 tors. eta vs tors. theta energy: -4.494 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: 7, replica: 9 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -36.883315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.883315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.883315 (E_RNA) where: Base-Base interactions energy: -15.740 where: short stacking energy: -15.740 Base-Backbone interact. energy: -0.004 local terms energy: -21.139340 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -4.818 flat angles C4'-P-C4' energy: -6.060 flat angles P-C4'-P energy: -2.310 tors. eta vs tors. theta energy: -2.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -34.123016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.123016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.123016 (E_RNA) where: Base-Base interactions energy: -10.622 where: short stacking energy: -10.622 Base-Backbone interact. energy: -0.001 local terms energy: -23.499363 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.874 flat angles C4'-P-C4' energy: -6.436 flat angles P-C4'-P energy: -4.096 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: 9, replica: 1 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -31.310428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.310428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.310428 (E_RNA) where: Base-Base interactions energy: -10.314 where: short stacking energy: -8.467 Base-Backbone interact. energy: -0.071 local terms energy: -20.925415 where: bonds (distance) C4'-P energy: -5.365 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.998 flat angles P-C4'-P energy: -2.872 tors. eta vs tors. theta energy: -1.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -33.230583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.230583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.230583 (E_RNA) where: Base-Base interactions energy: -13.704 where: short stacking energy: -13.704 Base-Backbone interact. energy: -0.001 local terms energy: -19.525424 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -0.799 flat angles P-C4'-P energy: -1.834 tors. eta vs tors. theta energy: -4.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -48.465303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.465303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.465303 (E_RNA) where: Base-Base interactions energy: -20.259 where: short stacking energy: -20.259 Base-Backbone interact. energy: -0.000 local terms energy: -28.205858 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.879 flat angles P-C4'-P energy: -4.353 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: 2, replica: 3 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -54.145103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.145103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.145103 (E_RNA) where: Base-Base interactions energy: -23.911 where: short stacking energy: -23.911 Base-Backbone interact. energy: -0.000 local terms energy: -30.234103 where: bonds (distance) C4'-P energy: -4.251 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -6.386 flat angles P-C4'-P energy: -5.326 tors. eta vs tors. theta energy: -7.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -50.983316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.983316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.983316 (E_RNA) where: Base-Base interactions energy: -24.621 where: short stacking energy: -19.061 Base-Backbone interact. energy: -0.001 local terms energy: -26.361400 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -5.810 flat angles P-C4'-P energy: -4.469 tors. eta vs tors. theta energy: -3.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -41.713974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.713974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.713974 (E_RNA) where: Base-Base interactions energy: -17.017 where: short stacking energy: -17.017 Base-Backbone interact. energy: -0.103 local terms energy: -24.594896 where: bonds (distance) C4'-P energy: -4.540 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -3.599 flat angles P-C4'-P energy: -4.672 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: 5, replica: 2 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -43.015136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.015136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.015136 (E_RNA) where: Base-Base interactions energy: -22.056 where: short stacking energy: -17.600 Base-Backbone interact. energy: -0.067 local terms energy: -20.892348 where: bonds (distance) C4'-P energy: -5.767 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.318 flat angles P-C4'-P energy: -2.814 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: 6, replica: 4 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -38.566232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.566232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.566232 (E_RNA) where: Base-Base interactions energy: -15.331 where: short stacking energy: -15.331 Base-Backbone interact. energy: -0.001 local terms energy: -23.233986 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -5.162 flat angles P-C4'-P energy: -3.358 tors. eta vs tors. theta energy: -3.003 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: 9 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -44.125669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.125669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.125669 (E_RNA) where: Base-Base interactions energy: -20.355 where: short stacking energy: -17.644 Base-Backbone interact. energy: -0.000 local terms energy: -23.770003 where: bonds (distance) C4'-P energy: -4.479 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -5.339 flat angles P-C4'-P energy: -3.838 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: 8, replica: 5 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -31.455633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.455633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.455633 (E_RNA) where: Base-Base interactions energy: -11.400 where: short stacking energy: -11.400 Base-Backbone interact. energy: -0.004 local terms energy: -20.051606 where: bonds (distance) C4'-P energy: -2.483 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -6.113 flat angles P-C4'-P energy: -4.064 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: 9, replica: 7 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -36.733119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.733119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.733119 (E_RNA) where: Base-Base interactions energy: -15.659 where: short stacking energy: -13.589 Base-Backbone interact. energy: -0.051 local terms energy: -21.023659 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.747 flat angles P-C4'-P energy: -1.515 tors. eta vs tors. theta energy: -1.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -33.708607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.708607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.708607 (E_RNA) where: Base-Base interactions energy: -16.662 where: short stacking energy: -16.662 Base-Backbone interact. energy: -0.052 local terms energy: -16.993853 where: bonds (distance) C4'-P energy: -3.272 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.487 flat angles P-C4'-P energy: -1.652 tors. eta vs tors. theta energy: -1.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -44.914858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.914858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.914858 (E_RNA) where: Base-Base interactions energy: -19.953 where: short stacking energy: -19.953 Base-Backbone interact. energy: -0.000 local terms energy: -24.962188 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.476 flat angles P-C4'-P energy: -3.075 tors. eta vs tors. theta energy: -4.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -49.314113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.314113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.314113 (E_RNA) where: Base-Base interactions energy: -20.443 where: short stacking energy: -20.443 Base-Backbone interact. energy: -0.000 local terms energy: -28.871294 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.244 flat angles P-C4'-P energy: -4.016 tors. eta vs tors. theta energy: -5.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -49.535736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.535736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.535736 (E_RNA) where: Base-Base interactions energy: -25.269 where: short stacking energy: -25.269 Base-Backbone interact. energy: -0.000 local terms energy: -24.266614 where: bonds (distance) C4'-P energy: -5.306 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -5.477 flat angles P-C4'-P energy: -2.574 tors. eta vs tors. theta energy: -6.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -42.115866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.115866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.115866 (E_RNA) where: Base-Base interactions energy: -18.010 where: short stacking energy: -18.010 Base-Backbone interact. energy: -0.001 local terms energy: -24.104573 where: bonds (distance) C4'-P energy: -4.984 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -6.519 flat angles P-C4'-P energy: -3.772 tors. eta vs tors. theta energy: -2.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -40.154272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.154272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.154272 (E_RNA) where: Base-Base interactions energy: -15.176 where: short stacking energy: -14.261 Base-Backbone interact. energy: -0.009 local terms energy: -24.969073 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -5.512 flat angles C4'-P-C4' energy: -4.671 flat angles P-C4'-P energy: -5.562 tors. eta vs tors. theta energy: -3.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -42.156678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.156678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.156678 (E_RNA) where: Base-Base interactions energy: -22.181 where: short stacking energy: -9.814 Base-Backbone interact. energy: -0.002 local terms energy: -19.973727 where: bonds (distance) C4'-P energy: -3.816 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.906 flat angles P-C4'-P energy: -3.857 tors. eta vs tors. theta energy: -0.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -40.770400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.770400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.770400 (E_RNA) where: Base-Base interactions energy: -16.214 where: short stacking energy: -16.214 Base-Backbone interact. energy: 0.419 local terms energy: -24.975527 where: bonds (distance) C4'-P energy: -5.295 bonds (distance) P-C4' energy: -6.125 flat angles C4'-P-C4' energy: -5.627 flat angles P-C4'-P energy: -3.936 tors. eta vs tors. theta energy: -3.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -38.302296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.302296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.302296 (E_RNA) where: Base-Base interactions energy: -17.444 where: short stacking energy: -14.159 Base-Backbone interact. energy: -0.001 local terms energy: -20.856895 where: bonds (distance) C4'-P energy: -2.553 bonds (distance) P-C4' energy: -5.895 flat angles C4'-P-C4' energy: -5.731 flat angles P-C4'-P energy: -4.923 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: 9, replica: 5 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -35.354870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.354870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.354870 (E_RNA) where: Base-Base interactions energy: -16.016 where: short stacking energy: -9.763 Base-Backbone interact. energy: -0.027 local terms energy: -19.312446 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.184 flat angles P-C4'-P energy: -3.793 tors. eta vs tors. theta energy: 1.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -33.461215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.461215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.461215 (E_RNA) where: Base-Base interactions energy: -17.786 where: short stacking energy: -5.879 Base-Backbone interact. energy: -0.033 local terms energy: -15.642485 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -5.861 flat angles C4'-P-C4' energy: -2.840 flat angles P-C4'-P energy: -1.669 tors. eta vs tors. theta energy: 0.104 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: 8 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -47.545974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.545974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.545974 (E_RNA) where: Base-Base interactions energy: -22.666 where: short stacking energy: -22.666 Base-Backbone interact. energy: -0.003 local terms energy: -24.877171 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.903 flat angles P-C4'-P energy: -2.982 tors. eta vs tors. theta energy: -4.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -38.242910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.242910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.242910 (E_RNA) where: Base-Base interactions energy: -15.512 where: short stacking energy: -15.512 Base-Backbone interact. energy: -0.063 local terms energy: -22.667122 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.315 flat angles C4'-P-C4' energy: -5.701 flat angles P-C4'-P energy: -4.590 tors. eta vs tors. theta energy: -1.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -46.080600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.080600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.080600 (E_RNA) where: Base-Base interactions energy: -19.992 where: short stacking energy: -13.685 Base-Backbone interact. energy: -0.002 local terms energy: -26.086482 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.647 flat angles P-C4'-P energy: -4.659 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: 4, replica: 3 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -42.538493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.538493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.538493 (E_RNA) where: Base-Base interactions energy: -19.740 where: short stacking energy: -19.740 Base-Backbone interact. energy: -0.097 local terms energy: -22.701478 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -6.692 flat angles P-C4'-P energy: -0.436 tors. eta vs tors. theta energy: -4.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -40.717826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.717826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.717826 (E_RNA) where: Base-Base interactions energy: -19.918 where: short stacking energy: -17.013 Base-Backbone interact. energy: -0.650 local terms energy: -20.149880 where: bonds (distance) C4'-P energy: -4.438 bonds (distance) P-C4' energy: -5.506 flat angles C4'-P-C4' energy: -4.456 flat angles P-C4'-P energy: -4.330 tors. eta vs tors. theta energy: -1.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -38.428008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.428008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.428008 (E_RNA) where: Base-Base interactions energy: -18.097 where: short stacking energy: -12.246 Base-Backbone interact. energy: -0.002 local terms energy: -20.328404 where: bonds (distance) C4'-P energy: -3.406 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.224 flat angles P-C4'-P energy: -4.155 tors. eta vs tors. theta energy: -0.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -35.849353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.849353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.849353 (E_RNA) where: Base-Base interactions energy: -16.074 where: short stacking energy: -15.769 Base-Backbone interact. energy: -0.001 local terms energy: -19.773908 where: bonds (distance) C4'-P energy: -5.688 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -4.450 flat angles P-C4'-P energy: -3.626 tors. eta vs tors. theta energy: -0.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -39.925121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.925121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.925121 (E_RNA) where: Base-Base interactions energy: -14.899 where: short stacking energy: -14.899 Base-Backbone interact. energy: -0.000 local terms energy: -25.026553 where: bonds (distance) C4'-P energy: -4.221 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.694 flat angles P-C4'-P energy: -3.547 tors. eta vs tors. theta energy: -4.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -36.207032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.207032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.207032 (E_RNA) where: Base-Base interactions energy: -14.488 where: short stacking energy: -14.488 Base-Backbone interact. energy: -0.000 local terms energy: -21.718582 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -4.559 flat angles P-C4'-P energy: -2.073 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: 10, replica: 5 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -32.435925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.435925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.435925 (E_RNA) where: Base-Base interactions energy: -9.404 where: short stacking energy: -7.599 Base-Backbone interact. energy: -0.000 local terms energy: -23.031905 where: bonds (distance) C4'-P energy: -4.631 bonds (distance) P-C4' energy: -5.181 flat angles C4'-P-C4' energy: -5.636 flat angles P-C4'-P energy: -4.836 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: 1, replica: 8 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -45.581267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.581267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.581267 (E_RNA) where: Base-Base interactions energy: -21.617 where: short stacking energy: -21.617 Base-Backbone interact. energy: -0.002 local terms energy: -23.962236 where: bonds (distance) C4'-P energy: -3.237 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -5.902 flat angles P-C4'-P energy: -3.899 tors. eta vs tors. theta energy: -4.272 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: 51 Temperature: 0.950000 Total energy: -48.937372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.937372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.937372 (E_RNA) where: Base-Base interactions energy: -22.283 where: short stacking energy: -22.283 Base-Backbone interact. energy: -0.000 local terms energy: -26.653958 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -4.011 flat angles P-C4'-P energy: -4.741 tors. eta vs tors. theta energy: -5.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -42.711722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.711722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.711722 (E_RNA) where: Base-Base interactions energy: -16.185 where: short stacking energy: -16.185 Base-Backbone interact. energy: -0.099 local terms energy: -26.427481 where: bonds (distance) C4'-P energy: -5.729 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -3.539 flat angles P-C4'-P energy: -5.309 tors. eta vs tors. theta energy: -4.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -41.793619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.793619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.793619 (E_RNA) where: Base-Base interactions energy: -14.933 where: short stacking energy: -14.933 Base-Backbone interact. energy: -0.000 local terms energy: -26.860324 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -6.082 flat angles P-C4'-P energy: -3.625 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: 5, replica: 3 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -42.994827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.994827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.994827 (E_RNA) where: Base-Base interactions energy: -18.861 where: short stacking energy: -18.861 Base-Backbone interact. energy: -0.000 local terms energy: -24.134288 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.594 flat angles P-C4'-P energy: -2.453 tors. eta vs tors. theta energy: -2.401 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: 7 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -37.974408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.974408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.974408 (E_RNA) where: Base-Base interactions energy: -19.451 where: short stacking energy: -19.451 Base-Backbone interact. energy: -0.011 local terms energy: -18.511583 where: bonds (distance) C4'-P energy: -2.471 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -5.716 flat angles P-C4'-P energy: -0.710 tors. eta vs tors. theta energy: -4.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -39.772892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.772892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.772892 (E_RNA) where: Base-Base interactions energy: -17.963 where: short stacking energy: -16.822 Base-Backbone interact. energy: -0.000 local terms energy: -21.809983 where: bonds (distance) C4'-P energy: -4.309 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.237 flat angles P-C4'-P energy: -3.223 tors. eta vs tors. theta energy: -3.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -37.111342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.111342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.111342 (E_RNA) where: Base-Base interactions energy: -16.105 where: short stacking energy: -13.832 Base-Backbone interact. energy: -0.000 local terms energy: -21.005843 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -3.488 flat angles P-C4'-P energy: -2.026 tors. eta vs tors. theta energy: -4.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -36.298875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.298875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.298875 (E_RNA) where: Base-Base interactions energy: -19.790 where: short stacking energy: -7.754 Base-Backbone interact. energy: -0.001 local terms energy: -16.507505 where: bonds (distance) C4'-P energy: -3.459 bonds (distance) P-C4' energy: -5.368 flat angles C4'-P-C4' energy: -4.671 flat angles P-C4'-P energy: -0.698 tors. eta vs tors. theta energy: -2.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -31.392153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.392153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.392153 (E_RNA) where: Base-Base interactions energy: -13.056 where: short stacking energy: -13.056 Base-Backbone interact. energy: -0.008 local terms energy: -18.328176 where: bonds (distance) C4'-P energy: -3.237 bonds (distance) P-C4' energy: -2.793 flat angles C4'-P-C4' energy: -4.805 flat angles P-C4'-P energy: -4.920 tors. eta vs tors. theta energy: -2.573 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: 8 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -44.944976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.944976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.944976 (E_RNA) where: Base-Base interactions energy: -19.947 where: short stacking energy: -13.694 Base-Backbone interact. energy: -0.011 local terms energy: -24.986904 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -5.656 flat angles C4'-P-C4' energy: -5.710 flat angles P-C4'-P energy: -5.301 tors. eta vs tors. theta energy: -2.669 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: 2 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -52.446619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.446619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.446619 (E_RNA) where: Base-Base interactions energy: -24.048 where: short stacking energy: -24.048 Base-Backbone interact. energy: -0.000 local terms energy: -28.399040 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -6.445 flat angles C4'-P-C4' energy: -5.108 flat angles P-C4'-P energy: -3.132 tors. eta vs tors. theta energy: -7.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -38.192200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.192200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.192200 (E_RNA) where: Base-Base interactions energy: -17.548 where: short stacking energy: -12.483 Base-Backbone interact. energy: -0.000 local terms energy: -20.644185 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -4.226 flat angles P-C4'-P energy: -2.975 tors. eta vs tors. theta energy: -2.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -51.313022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.313022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.313022 (E_RNA) where: Base-Base interactions energy: -21.783 where: short stacking energy: -21.783 Base-Backbone interact. energy: -0.000 local terms energy: -29.529967 where: bonds (distance) C4'-P energy: -4.276 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -6.297 flat angles P-C4'-P energy: -4.890 tors. eta vs tors. theta energy: -7.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -35.267006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.267006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.267006 (E_RNA) where: Base-Base interactions energy: -15.894 where: short stacking energy: -15.894 Base-Backbone interact. energy: -0.004 local terms energy: -19.369314 where: bonds (distance) C4'-P energy: -4.797 bonds (distance) P-C4' energy: -0.377 flat angles C4'-P-C4' energy: -5.614 flat angles P-C4'-P energy: -5.515 tors. eta vs tors. theta energy: -3.065 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: 3 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -32.662535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.662535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.662535 (E_RNA) where: Base-Base interactions energy: -13.081 where: short stacking energy: -10.627 Base-Backbone interact. energy: -0.036 local terms energy: -19.545192 where: bonds (distance) C4'-P energy: -3.965 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.172 flat angles P-C4'-P energy: -3.230 tors. eta vs tors. theta energy: -1.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -46.523254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.523254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.523254 (E_RNA) where: Base-Base interactions energy: -19.753 where: short stacking energy: -19.753 Base-Backbone interact. energy: -0.001 local terms energy: -26.770085 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -5.957 flat angles P-C4'-P energy: -5.153 tors. eta vs tors. theta energy: -3.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -42.499409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.499409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.499409 (E_RNA) where: Base-Base interactions energy: -20.555 where: short stacking energy: -20.555 Base-Backbone interact. energy: -0.000 local terms energy: -21.944191 where: bonds (distance) C4'-P energy: -2.856 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -5.094 flat angles P-C4'-P energy: -3.794 tors. eta vs tors. theta energy: -4.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -34.496274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.496274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.496274 (E_RNA) where: Base-Base interactions energy: -10.965 where: short stacking energy: -10.965 Base-Backbone interact. energy: -0.000 local terms energy: -23.530841 where: bonds (distance) C4'-P energy: -4.453 bonds (distance) P-C4' energy: -4.560 flat angles C4'-P-C4' energy: -5.126 flat angles P-C4'-P energy: -3.601 tors. eta vs tors. theta energy: -5.790 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: 52 Temperature: 1.350000 Total energy: -36.855316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.855316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.855316 (E_RNA) where: Base-Base interactions energy: -11.365 where: short stacking energy: -11.365 Base-Backbone interact. energy: -0.000 local terms energy: -25.490195 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.799 flat angles P-C4'-P energy: -2.150 tors. eta vs tors. theta energy: -6.196 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: 8 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -45.953380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.953380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.953380 (E_RNA) where: Base-Base interactions energy: -19.249 where: short stacking energy: -19.249 Base-Backbone interact. energy: -0.000 local terms energy: -26.704743 where: bonds (distance) C4'-P energy: -4.451 bonds (distance) P-C4' energy: -5.131 flat angles C4'-P-C4' energy: -5.991 flat angles P-C4'-P energy: -4.786 tors. eta vs tors. theta energy: -6.345 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: 2 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -45.792193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.792193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.792193 (E_RNA) where: Base-Base interactions energy: -20.017 where: short stacking energy: -20.017 Base-Backbone interact. energy: -0.002 local terms energy: -25.773952 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -3.214 flat angles P-C4'-P energy: -4.661 tors. eta vs tors. theta energy: -4.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -41.800353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.800353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.800353 (E_RNA) where: Base-Base interactions energy: -18.739 where: short stacking energy: -18.739 Base-Backbone interact. energy: -0.000 local terms energy: -23.061512 where: bonds (distance) C4'-P energy: -3.444 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -5.906 flat angles P-C4'-P energy: -4.594 tors. eta vs tors. theta energy: -4.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -52.290884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.290884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.290884 (E_RNA) where: Base-Base interactions energy: -22.404 where: short stacking energy: -22.404 Base-Backbone interact. energy: -0.000 local terms energy: -29.887310 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.413 flat angles P-C4'-P energy: -3.703 tors. eta vs tors. theta energy: -7.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -42.077165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.077165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.077165 (E_RNA) where: Base-Base interactions energy: -18.801 where: short stacking energy: -18.801 Base-Backbone interact. energy: -0.000 local terms energy: -23.275781 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.146 flat angles P-C4'-P energy: -2.817 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: 6, replica: 1 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -43.246919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.246919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.246919 (E_RNA) where: Base-Base interactions energy: -17.365 where: short stacking energy: -17.365 Base-Backbone interact. energy: -0.000 local terms energy: -25.881631 where: bonds (distance) C4'-P energy: -5.394 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -5.462 flat angles P-C4'-P energy: -4.743 tors. eta vs tors. theta energy: -4.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -40.674056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.674056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.674056 (E_RNA) where: Base-Base interactions energy: -20.034 where: short stacking energy: -20.034 Base-Backbone interact. energy: -0.001 local terms energy: -20.639932 where: bonds (distance) C4'-P energy: -2.649 bonds (distance) P-C4' energy: -3.347 flat angles C4'-P-C4' energy: -3.173 flat angles P-C4'-P energy: -4.264 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: 8, replica: 5 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -35.294833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.294833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.294833 (E_RNA) where: Base-Base interactions energy: -14.462 where: short stacking energy: -14.462 Base-Backbone interact. energy: -0.000 local terms energy: -20.832359 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -2.653 flat angles P-C4'-P energy: -0.641 tors. eta vs tors. theta energy: -4.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -35.454070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.454070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.454070 (E_RNA) where: Base-Base interactions energy: -12.326 where: short stacking energy: -12.326 Base-Backbone interact. energy: -0.000 local terms energy: -23.127505 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -4.688 flat angles P-C4'-P energy: -3.847 tors. eta vs tors. theta energy: -2.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -30.147725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.147725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.147725 (E_RNA) where: Base-Base interactions energy: -13.215 where: short stacking energy: -13.215 Base-Backbone interact. energy: -0.008 local terms energy: -16.925397 where: bonds (distance) C4'-P energy: -3.316 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -2.980 flat angles P-C4'-P energy: -3.226 tors. eta vs tors. theta energy: -1.638 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: 2 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -51.727612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.727612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.727612 (E_RNA) where: Base-Base interactions energy: -23.524 where: short stacking energy: -23.524 Base-Backbone interact. energy: -0.000 local terms energy: -28.203474 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -5.866 flat angles P-C4'-P energy: -4.729 tors. eta vs tors. theta energy: -5.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -47.969626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.969626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.969626 (E_RNA) where: Base-Base interactions energy: -19.534 where: short stacking energy: -19.534 Base-Backbone interact. energy: -0.001 local terms energy: -28.434766 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.417 flat angles P-C4'-P energy: -5.297 tors. eta vs tors. theta energy: -6.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -39.155754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.155754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.155754 (E_RNA) where: Base-Base interactions energy: -15.753 where: short stacking energy: -14.823 Base-Backbone interact. energy: -0.000 local terms energy: -23.402018 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.895 flat angles C4'-P-C4' energy: -5.552 flat angles P-C4'-P energy: -2.228 tors. eta vs tors. theta energy: -3.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -44.665069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.665069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.665069 (E_RNA) where: Base-Base interactions energy: -23.995 where: short stacking energy: -11.096 Base-Backbone interact. energy: -0.382 local terms energy: -20.288333 where: bonds (distance) C4'-P energy: -5.017 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.591 flat angles P-C4'-P energy: -2.579 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: 5, replica: 1 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -45.567918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.567918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.567918 (E_RNA) where: Base-Base interactions energy: -17.776 where: short stacking energy: -17.016 Base-Backbone interact. energy: -0.045 local terms energy: -27.746743 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -5.699 flat angles C4'-P-C4' energy: -6.270 flat angles P-C4'-P energy: -4.569 tors. eta vs tors. theta energy: -4.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -36.497021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.497021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.497021 (E_RNA) where: Base-Base interactions energy: -17.222 where: short stacking energy: -10.838 Base-Backbone interact. energy: -0.045 local terms energy: -19.229710 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.104 flat angles P-C4'-P energy: -3.118 tors. eta vs tors. theta energy: 0.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -34.097885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.097885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.097885 (E_RNA) where: Base-Base interactions energy: -13.556 where: short stacking energy: -13.556 Base-Backbone interact. energy: -0.000 local terms energy: -20.541300 where: bonds (distance) C4'-P energy: -3.546 bonds (distance) P-C4' energy: -5.076 flat angles C4'-P-C4' energy: -4.442 flat angles P-C4'-P energy: -3.639 tors. eta vs tors. theta energy: -3.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -38.292595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.292595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.292595 (E_RNA) where: Base-Base interactions energy: -20.006 where: short stacking energy: -20.006 Base-Backbone interact. energy: -0.000 local terms energy: -18.287018 where: bonds (distance) C4'-P energy: -4.221 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -3.503 flat angles P-C4'-P energy: 0.025 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: 9, replica: 4 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -34.680552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.680552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.680552 (E_RNA) where: Base-Base interactions energy: -12.658 where: short stacking energy: -9.245 Base-Backbone interact. energy: -0.112 local terms energy: -21.910120 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.329 flat angles P-C4'-P energy: -2.853 tors. eta vs tors. theta energy: -0.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -38.927251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.927251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.927251 (E_RNA) where: Base-Base interactions energy: -17.618 where: short stacking energy: -17.618 Base-Backbone interact. energy: 0.478 local terms energy: -21.787166 where: bonds (distance) C4'-P energy: -3.505 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.398 flat angles P-C4'-P energy: -3.192 tors. eta vs tors. theta energy: -3.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -53.402162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.402162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.402162 (E_RNA) where: Base-Base interactions energy: -24.458 where: short stacking energy: -24.458 Base-Backbone interact. energy: -0.000 local terms energy: -28.944455 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.562 flat angles P-C4'-P energy: -2.473 tors. eta vs tors. theta energy: -7.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -45.573522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.573522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.573522 (E_RNA) where: Base-Base interactions energy: -21.919 where: short stacking energy: -15.420 Base-Backbone interact. energy: -0.088 local terms energy: -23.566668 where: bonds (distance) C4'-P energy: -4.755 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -6.505 flat angles P-C4'-P energy: -4.004 tors. eta vs tors. theta energy: -1.871 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: 8 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -43.531806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.531806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.531806 (E_RNA) where: Base-Base interactions energy: -20.207 where: short stacking energy: -20.207 Base-Backbone interact. energy: -0.001 local terms energy: -23.324148 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -5.384 flat angles P-C4'-P energy: -3.816 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: 1 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -49.352993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.352993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.352993 (E_RNA) where: Base-Base interactions energy: -24.993 where: short stacking energy: -18.172 Base-Backbone interact. energy: -0.002 local terms energy: -24.358075 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.064 flat angles P-C4'-P energy: -3.337 tors. eta vs tors. theta energy: -3.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -42.402039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.402039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.402039 (E_RNA) where: Base-Base interactions energy: -16.458 where: short stacking energy: -16.458 Base-Backbone interact. energy: -0.000 local terms energy: -25.943936 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -5.442 flat angles C4'-P-C4' energy: -6.538 flat angles P-C4'-P energy: -4.117 tors. eta vs tors. theta energy: -4.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -42.197746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.197746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.197746 (E_RNA) where: Base-Base interactions energy: -19.837 where: short stacking energy: -19.837 Base-Backbone interact. energy: -0.000 local terms energy: -22.360812 where: bonds (distance) C4'-P energy: -4.330 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.411 flat angles P-C4'-P energy: -2.790 tors. eta vs tors. theta energy: -3.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -39.966151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.966151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.966151 (E_RNA) where: Base-Base interactions energy: -16.946 where: short stacking energy: -16.946 Base-Backbone interact. energy: -0.059 local terms energy: -22.961129 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -3.781 flat angles P-C4'-P energy: -3.290 tors. eta vs tors. theta energy: -3.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -33.768984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.768984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.768984 (E_RNA) where: Base-Base interactions energy: -13.464 where: short stacking energy: -13.464 Base-Backbone interact. energy: -0.021 local terms energy: -20.284342 where: bonds (distance) C4'-P energy: -3.506 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.160 flat angles P-C4'-P energy: -0.541 tors. eta vs tors. theta energy: -4.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -36.016466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.016466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.016466 (E_RNA) where: Base-Base interactions energy: -15.626 where: short stacking energy: -12.627 Base-Backbone interact. energy: -0.001 local terms energy: -20.389542 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -4.260 flat angles P-C4'-P energy: -3.780 tors. eta vs tors. theta energy: -1.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -30.365612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.365612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.365612 (E_RNA) where: Base-Base interactions energy: -10.808 where: short stacking energy: -8.370 Base-Backbone interact. energy: -0.148 local terms energy: -19.410014 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -4.495 flat angles P-C4'-P energy: -3.894 tors. eta vs tors. theta energy: 1.271 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: 10 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -50.862019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.862019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.862019 (E_RNA) where: Base-Base interactions energy: -23.583 where: short stacking energy: -14.286 Base-Backbone interact. energy: -0.000 local terms energy: -27.278420 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.160 flat angles P-C4'-P energy: -4.954 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: 2, replica: 2 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -49.038890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.038890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.038890 (E_RNA) where: Base-Base interactions energy: -22.751 where: short stacking energy: -22.751 Base-Backbone interact. energy: -0.000 local terms energy: -26.287733 where: bonds (distance) C4'-P energy: -5.481 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -6.170 flat angles P-C4'-P energy: -1.956 tors. eta vs tors. theta energy: -5.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -45.554455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.554455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.554455 (E_RNA) where: Base-Base interactions energy: -18.227 where: short stacking energy: -18.227 Base-Backbone interact. energy: -0.100 local terms energy: -27.227414 where: bonds (distance) C4'-P energy: -6.098 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.140 flat angles P-C4'-P energy: -5.249 tors. eta vs tors. theta energy: -4.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -38.672798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.672798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.672798 (E_RNA) where: Base-Base interactions energy: -16.296 where: short stacking energy: -16.296 Base-Backbone interact. energy: -0.000 local terms energy: -22.376717 where: bonds (distance) C4'-P energy: -4.624 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -5.759 flat angles P-C4'-P energy: -3.243 tors. eta vs tors. theta energy: -1.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -40.334972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.334972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.334972 (E_RNA) where: Base-Base interactions energy: -18.329 where: short stacking energy: -18.329 Base-Backbone interact. energy: -0.000 local terms energy: -22.005973 where: bonds (distance) C4'-P energy: -3.770 bonds (distance) P-C4' energy: -5.896 flat angles C4'-P-C4' energy: -5.810 flat angles P-C4'-P energy: -2.481 tors. eta vs tors. theta energy: -4.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -38.713209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.713209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.713209 (E_RNA) where: Base-Base interactions energy: -15.057 where: short stacking energy: -15.057 Base-Backbone interact. energy: -0.000 local terms energy: -23.656511 where: bonds (distance) C4'-P energy: -4.300 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.598 flat angles P-C4'-P energy: -3.712 tors. eta vs tors. theta energy: -2.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -38.465893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.465893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.465893 (E_RNA) where: Base-Base interactions energy: -19.249 where: short stacking energy: -19.249 Base-Backbone interact. energy: 0.600 local terms energy: -19.817411 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -4.932 flat angles C4'-P-C4' energy: -3.384 flat angles P-C4'-P energy: -2.919 tors. eta vs tors. theta energy: -2.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -33.319362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.319362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.319362 (E_RNA) where: Base-Base interactions energy: -13.148 where: short stacking energy: -9.561 Base-Backbone interact. energy: -0.000 local terms energy: -20.171557 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -3.881 flat angles P-C4'-P energy: -3.722 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: 9, replica: 9 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -33.688742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.688742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.688742 (E_RNA) where: Base-Base interactions energy: -10.709 where: short stacking energy: -10.709 Base-Backbone interact. energy: -0.009 local terms energy: -22.970541 where: bonds (distance) C4'-P energy: -4.487 bonds (distance) P-C4' energy: -6.100 flat angles C4'-P-C4' energy: -5.588 flat angles P-C4'-P energy: -3.993 tors. eta vs tors. theta energy: -2.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -36.243546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.243546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.243546 (E_RNA) where: Base-Base interactions energy: -13.236 where: short stacking energy: -13.236 Base-Backbone interact. energy: -0.000 local terms energy: -23.007589 where: bonds (distance) C4'-P energy: -4.238 bonds (distance) P-C4' energy: -6.125 flat angles C4'-P-C4' energy: -4.974 flat angles P-C4'-P energy: -5.136 tors. eta vs tors. theta energy: -2.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -50.407836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.407836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.407836 (E_RNA) where: Base-Base interactions energy: -24.901 where: short stacking energy: -16.143 Base-Backbone interact. energy: -0.000 local terms energy: -25.506870 where: bonds (distance) C4'-P energy: -4.996 bonds (distance) P-C4' energy: -5.864 flat angles C4'-P-C4' energy: -4.361 flat angles P-C4'-P energy: -4.472 tors. eta vs tors. theta energy: -5.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -50.205552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.205552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.205552 (E_RNA) where: Base-Base interactions energy: -21.245 where: short stacking energy: -21.245 Base-Backbone interact. energy: -0.000 local terms energy: -28.960324 where: bonds (distance) C4'-P energy: -3.854 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.941 flat angles P-C4'-P energy: -5.297 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: 3, replica: 1 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -40.783693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.783693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.783693 (E_RNA) where: Base-Base interactions energy: -17.381 where: short stacking energy: -17.381 Base-Backbone interact. energy: -0.000 local terms energy: -23.402204 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -4.846 flat angles P-C4'-P energy: -3.113 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: 4, replica: 3 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -45.447660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.447660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.447660 (E_RNA) where: Base-Base interactions energy: -19.187 where: short stacking energy: -19.187 Base-Backbone interact. energy: -0.000 local terms energy: -26.260347 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -4.811 flat angles P-C4'-P energy: -4.672 tors. eta vs tors. theta energy: -4.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -39.468296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.468296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.468296 (E_RNA) where: Base-Base interactions energy: -14.809 where: short stacking energy: -14.809 Base-Backbone interact. energy: -0.000 local terms energy: -24.659653 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -6.047 flat angles P-C4'-P energy: -4.403 tors. eta vs tors. theta energy: -1.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -39.142738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.142738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.142738 (E_RNA) where: Base-Base interactions energy: -13.300 where: short stacking energy: -13.300 Base-Backbone interact. energy: -0.000 local terms energy: -25.842853 where: bonds (distance) C4'-P energy: -4.869 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -5.655 flat angles P-C4'-P energy: -4.469 tors. eta vs tors. theta energy: -3.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -47.866092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.866092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.866092 (E_RNA) where: Base-Base interactions energy: -23.834 where: short stacking energy: -23.834 Base-Backbone interact. energy: -0.000 local terms energy: -24.031812 where: bonds (distance) C4'-P energy: -3.671 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -5.824 flat angles P-C4'-P energy: -2.564 tors. eta vs tors. theta energy: -6.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -34.131397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.131397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.131397 (E_RNA) where: Base-Base interactions energy: -16.593 where: short stacking energy: -11.955 Base-Backbone interact. energy: -0.078 local terms energy: -17.460396 where: bonds (distance) C4'-P energy: -4.098 bonds (distance) P-C4' energy: -3.702 flat angles C4'-P-C4' energy: -2.687 flat angles P-C4'-P energy: -4.137 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: 9, replica: 7 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -38.211478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.211478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.211478 (E_RNA) where: Base-Base interactions energy: -17.475 where: short stacking energy: -14.900 Base-Backbone interact. energy: -0.120 local terms energy: -20.616682 where: bonds (distance) C4'-P energy: -3.593 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.576 flat angles P-C4'-P energy: -2.417 tors. eta vs tors. theta energy: -3.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -38.291777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.291777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.291777 (E_RNA) where: Base-Base interactions energy: -18.349 where: short stacking energy: -5.092 Base-Backbone interact. energy: -0.142 local terms energy: -19.801331 where: bonds (distance) C4'-P energy: -4.213 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.977 flat angles P-C4'-P energy: -4.617 tors. eta vs tors. theta energy: 1.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -49.792807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.792807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.792807 (E_RNA) where: Base-Base interactions energy: -23.065 where: short stacking energy: -23.065 Base-Backbone interact. energy: -0.000 local terms energy: -26.727921 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -4.596 flat angles C4'-P-C4' energy: -5.534 flat angles P-C4'-P energy: -3.778 tors. eta vs tors. theta energy: -6.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -55.785409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.785409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.785409 (E_RNA) where: Base-Base interactions energy: -25.661 where: short stacking energy: -25.661 Base-Backbone interact. energy: -0.000 local terms energy: -30.124849 where: bonds (distance) C4'-P energy: -4.516 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -6.274 flat angles P-C4'-P energy: -4.447 tors. eta vs tors. theta energy: -7.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -45.031386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.031386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.031386 (E_RNA) where: Base-Base interactions energy: -20.869 where: short stacking energy: -20.869 Base-Backbone interact. energy: -0.000 local terms energy: -24.162182 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -5.354 flat angles P-C4'-P energy: -2.011 tors. eta vs tors. theta energy: -5.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -43.832195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.832195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.832195 (E_RNA) where: Base-Base interactions energy: -17.709 where: short stacking energy: -17.709 Base-Backbone interact. energy: -0.001 local terms energy: -26.122071 where: bonds (distance) C4'-P energy: -5.510 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.935 flat angles P-C4'-P energy: -4.806 tors. eta vs tors. theta energy: -2.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -44.008210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.008210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.008210 (E_RNA) where: Base-Base interactions energy: -21.433 where: short stacking energy: -21.433 Base-Backbone interact. energy: -0.000 local terms energy: -22.575069 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -5.157 flat angles C4'-P-C4' energy: -6.263 flat angles P-C4'-P energy: -0.163 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: 6, replica: 8 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -37.342719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.342719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.342719 (E_RNA) where: Base-Base interactions energy: -14.286 where: short stacking energy: -14.286 Base-Backbone interact. energy: -0.000 local terms energy: -23.056791 where: bonds (distance) C4'-P energy: -4.773 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.077 flat angles P-C4'-P energy: -4.611 tors. eta vs tors. theta energy: -1.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -34.524939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.524939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.524939 (E_RNA) where: Base-Base interactions energy: -13.804 where: short stacking energy: -13.804 Base-Backbone interact. energy: -0.004 local terms energy: -20.717378 where: bonds (distance) C4'-P energy: -3.382 bonds (distance) P-C4' energy: -6.118 flat angles C4'-P-C4' energy: -4.379 flat angles P-C4'-P energy: -4.410 tors. eta vs tors. theta energy: -2.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -31.655778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.655778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.655778 (E_RNA) where: Base-Base interactions energy: -14.323 where: short stacking energy: -14.323 Base-Backbone interact. energy: 0.086 local terms energy: -17.419339 where: bonds (distance) C4'-P energy: -1.141 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -3.577 flat angles P-C4'-P energy: -2.634 tors. eta vs tors. theta energy: -2.931 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: 58 Temperature: 1.300000 Total energy: -38.177072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.177072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.177072 (E_RNA) where: Base-Base interactions energy: -15.065 where: short stacking energy: -15.065 Base-Backbone interact. energy: -0.025 local terms energy: -23.086597 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -5.512 flat angles C4'-P-C4' energy: -3.471 flat angles P-C4'-P energy: -3.970 tors. eta vs tors. theta energy: -4.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -33.532624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.532624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.532624 (E_RNA) where: Base-Base interactions energy: -15.161 where: short stacking energy: -13.469 Base-Backbone interact. energy: -0.050 local terms energy: -18.321153 where: bonds (distance) C4'-P energy: -2.943 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -4.421 flat angles P-C4'-P energy: -4.544 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: 1, replica: 2 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -48.643438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.643438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.643438 (E_RNA) where: Base-Base interactions energy: -22.367 where: short stacking energy: -22.367 Base-Backbone interact. energy: -0.000 local terms energy: -26.275736 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.860 flat angles P-C4'-P energy: -3.396 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: 2, replica: 10 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -52.085448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.085448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.085448 (E_RNA) where: Base-Base interactions energy: -24.746 where: short stacking energy: -19.071 Base-Backbone interact. energy: -0.001 local terms energy: -27.338886 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -4.745 flat angles P-C4'-P energy: -4.265 tors. eta vs tors. theta energy: -6.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -48.228620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.228620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.228620 (E_RNA) where: Base-Base interactions energy: -21.925 where: short stacking energy: -21.925 Base-Backbone interact. energy: -0.000 local terms energy: -26.303746 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.114 flat angles P-C4'-P energy: -4.411 tors. eta vs tors. theta energy: -3.673 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: 4 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -53.247205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.247205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.247205 (E_RNA) where: Base-Base interactions energy: -25.766 where: short stacking energy: -25.766 Base-Backbone interact. energy: -0.000 local terms energy: -27.480714 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -3.922 flat angles P-C4'-P energy: -4.635 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: 5, replica: 1 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -51.746320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.746320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.746320 (E_RNA) where: Base-Base interactions energy: -22.945 where: short stacking energy: -22.945 Base-Backbone interact. energy: -0.000 local terms energy: -28.800902 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.291 flat angles P-C4'-P energy: -3.064 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: 6, replica: 9 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -38.426851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.426851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.426851 (E_RNA) where: Base-Base interactions energy: -14.660 where: short stacking energy: -11.801 Base-Backbone interact. energy: -0.075 local terms energy: -23.691847 where: bonds (distance) C4'-P energy: -5.163 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.512 flat angles P-C4'-P energy: -4.913 tors. eta vs tors. theta energy: -1.694 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: 59 Temperature: 1.200000 Total energy: -33.916155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.916155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.916155 (E_RNA) where: Base-Base interactions energy: -12.421 where: short stacking energy: -9.942 Base-Backbone interact. energy: -0.707 local terms energy: -20.788101 where: bonds (distance) C4'-P energy: -4.864 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.142 flat angles P-C4'-P energy: -2.304 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: 8, replica: 5 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -40.154555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.154555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.154555 (E_RNA) where: Base-Base interactions energy: -18.632 where: short stacking energy: -18.632 Base-Backbone interact. energy: -0.013 local terms energy: -21.509427 where: bonds (distance) C4'-P energy: -3.940 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.849 flat angles P-C4'-P energy: -3.620 tors. eta vs tors. theta energy: -1.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -33.002820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.002820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.002820 (E_RNA) where: Base-Base interactions energy: -14.077 where: short stacking energy: -14.077 Base-Backbone interact. energy: 0.502 local terms energy: -19.427414 where: bonds (distance) C4'-P energy: -5.688 bonds (distance) P-C4' energy: -3.478 flat angles C4'-P-C4' energy: -4.070 flat angles P-C4'-P energy: -3.012 tors. eta vs tors. theta energy: -3.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -37.183563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.183563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.183563 (E_RNA) where: Base-Base interactions energy: -14.599 where: short stacking energy: -14.599 Base-Backbone interact. energy: -0.044 local terms energy: -22.540067 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -6.646 flat angles P-C4'-P energy: -2.078 tors. eta vs tors. theta energy: -1.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -47.837683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.837683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.837683 (E_RNA) where: Base-Base interactions energy: -18.960 where: short stacking energy: -18.960 Base-Backbone interact. energy: -0.001 local terms energy: -28.876766 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.788 flat angles P-C4'-P energy: -5.003 tors. eta vs tors. theta energy: -5.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -44.256585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.256585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.256585 (E_RNA) where: Base-Base interactions energy: -19.399 where: short stacking energy: -15.218 Base-Backbone interact. energy: 0.226 local terms energy: -25.083175 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -5.970 flat angles C4'-P-C4' energy: -6.869 flat angles P-C4'-P energy: -3.106 tors. eta vs tors. theta energy: -2.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -48.912714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.912714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.912714 (E_RNA) where: Base-Base interactions energy: -20.447 where: short stacking energy: -20.447 Base-Backbone interact. energy: -0.003 local terms energy: -28.461995 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -5.604 flat angles C4'-P-C4' energy: -6.396 flat angles P-C4'-P energy: -5.164 tors. eta vs tors. theta energy: -5.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -36.610077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.610077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.610077 (E_RNA) where: Base-Base interactions energy: -13.243 where: short stacking energy: -13.243 Base-Backbone interact. energy: -0.002 local terms energy: -23.365886 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.676 flat angles P-C4'-P energy: -5.507 tors. eta vs tors. theta energy: -0.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -47.053334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.053334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.053334 (E_RNA) where: Base-Base interactions energy: -21.005 where: short stacking energy: -21.005 Base-Backbone interact. energy: -0.000 local terms energy: -26.048021 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -5.346 flat angles C4'-P-C4' energy: -5.941 flat angles P-C4'-P energy: -3.509 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: 6, replica: 9 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -36.342534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.342534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.342534 (E_RNA) where: Base-Base interactions energy: -13.682 where: short stacking energy: -13.682 Base-Backbone interact. energy: -0.000 local terms energy: -22.660791 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -4.481 flat angles P-C4'-P energy: -3.678 tors. eta vs tors. theta energy: -2.391 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: 5 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -40.659443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.659443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.659443 (E_RNA) where: Base-Base interactions energy: -18.262 where: short stacking energy: -13.311 Base-Backbone interact. energy: -0.000 local terms energy: -22.397112 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.757 flat angles P-C4'-P energy: -3.037 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: 8, replica: 8 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -33.335042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.335042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.335042 (E_RNA) where: Base-Base interactions energy: -20.738 where: short stacking energy: -11.438 Base-Backbone interact. energy: -0.060 local terms energy: -12.537281 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -4.617 flat angles C4'-P-C4' energy: -3.193 flat angles P-C4'-P energy: -1.235 tors. eta vs tors. theta energy: 2.258 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: 7 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -31.221317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.221317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.221317 (E_RNA) where: Base-Base interactions energy: -12.025 where: short stacking energy: -12.025 Base-Backbone interact. energy: -0.001 local terms energy: -19.194524 where: bonds (distance) C4'-P energy: -5.332 bonds (distance) P-C4' energy: -3.342 flat angles C4'-P-C4' energy: -4.870 flat angles P-C4'-P energy: -3.201 tors. eta vs tors. theta energy: -2.449 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: 6 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -37.142354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.142354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.142354 (E_RNA) where: Base-Base interactions energy: -16.652 where: short stacking energy: -16.652 Base-Backbone interact. energy: -0.001 local terms energy: -20.489372 where: bonds (distance) C4'-P energy: -3.953 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -3.610 flat angles P-C4'-P energy: -4.437 tors. eta vs tors. theta energy: -2.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -49.478676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.478676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.478676 (E_RNA) where: Base-Base interactions energy: -22.643 where: short stacking energy: -22.643 Base-Backbone interact. energy: -0.000 local terms energy: -26.835304 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.973 flat angles P-C4'-P energy: -3.519 tors. eta vs tors. theta energy: -4.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -45.291717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.291717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.291717 (E_RNA) where: Base-Base interactions energy: -20.250 where: short stacking energy: -20.250 Base-Backbone interact. energy: -0.000 local terms energy: -25.041690 where: bonds (distance) C4'-P energy: -3.920 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.085 flat angles P-C4'-P energy: -4.587 tors. eta vs tors. theta energy: -4.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -42.133225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.133225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.133225 (E_RNA) where: Base-Base interactions energy: -17.474 where: short stacking energy: -16.394 Base-Backbone interact. energy: -0.000 local terms energy: -24.658840 where: bonds (distance) C4'-P energy: -3.597 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -5.922 flat angles P-C4'-P energy: -4.458 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: 4, replica: 1 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -44.796760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.796760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.796760 (E_RNA) where: Base-Base interactions energy: -15.389 where: short stacking energy: -15.389 Base-Backbone interact. energy: -0.000 local terms energy: -29.407274 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -6.138 flat angles P-C4'-P energy: -4.733 tors. eta vs tors. theta energy: -5.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -38.045286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.045286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.045286 (E_RNA) where: Base-Base interactions energy: -15.894 where: short stacking energy: -15.894 Base-Backbone interact. energy: -0.000 local terms energy: -22.151228 where: bonds (distance) C4'-P energy: -3.738 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.266 flat angles P-C4'-P energy: -3.994 tors. eta vs tors. theta energy: -2.020 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: 5 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -41.425029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.425029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.425029 (E_RNA) where: Base-Base interactions energy: -17.250 where: short stacking energy: -17.250 Base-Backbone interact. energy: -0.016 local terms energy: -24.159338 where: bonds (distance) C4'-P energy: -3.654 bonds (distance) P-C4' energy: -5.184 flat angles C4'-P-C4' energy: -5.987 flat angles P-C4'-P energy: -4.377 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: 9 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -34.513012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.513012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.513012 (E_RNA) where: Base-Base interactions energy: -10.553 where: short stacking energy: -10.553 Base-Backbone interact. energy: -0.000 local terms energy: -23.959706 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.094 flat angles P-C4'-P energy: -4.007 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: 8, replica: 7 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -33.463936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.463936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.463936 (E_RNA) where: Base-Base interactions energy: -12.687 where: short stacking energy: -12.687 Base-Backbone interact. energy: -0.002 local terms energy: -20.775048 where: bonds (distance) C4'-P energy: -3.725 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -3.923 flat angles P-C4'-P energy: -4.263 tors. eta vs tors. theta energy: -3.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -48.666938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.666938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.666938 (E_RNA) where: Base-Base interactions energy: -21.609 where: short stacking energy: -21.609 Base-Backbone interact. energy: -0.000 local terms energy: -27.058280 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -4.654 flat angles P-C4'-P energy: -4.279 tors. eta vs tors. theta energy: -6.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -32.037265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.037265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.037265 (E_RNA) where: Base-Base interactions energy: -10.815 where: short stacking energy: -10.815 Base-Backbone interact. energy: -0.024 local terms energy: -21.197922 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.057 flat angles P-C4'-P energy: -4.211 tors. eta vs tors. theta energy: 0.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -50.118679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.118679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.118679 (E_RNA) where: Base-Base interactions energy: -22.476 where: short stacking energy: -22.476 Base-Backbone interact. energy: -0.000 local terms energy: -27.642826 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -6.324 flat angles P-C4'-P energy: -3.283 tors. eta vs tors. theta energy: -6.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -44.844661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.844661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.844661 (E_RNA) where: Base-Base interactions energy: -18.612 where: short stacking energy: -18.612 Base-Backbone interact. energy: -0.037 local terms energy: -26.196059 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.289 flat angles P-C4'-P energy: -4.848 tors. eta vs tors. theta energy: -2.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -47.753491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.753491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.753491 (E_RNA) where: Base-Base interactions energy: -21.402 where: short stacking energy: -21.402 Base-Backbone interact. energy: -0.001 local terms energy: -26.350735 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.153 flat angles C4'-P-C4' energy: -6.342 flat angles P-C4'-P energy: -4.764 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: 4, replica: 2 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -43.191345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.191345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.191345 (E_RNA) where: Base-Base interactions energy: -18.077 where: short stacking energy: -18.077 Base-Backbone interact. energy: -0.029 local terms energy: -25.085427 where: bonds (distance) C4'-P energy: -4.603 bonds (distance) P-C4' energy: -6.358 flat angles C4'-P-C4' energy: -6.296 flat angles P-C4'-P energy: -4.318 tors. eta vs tors. theta energy: -3.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -45.030722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.030722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.030722 (E_RNA) where: Base-Base interactions energy: -19.074 where: short stacking energy: -19.074 Base-Backbone interact. energy: -0.003 local terms energy: -25.953597 where: bonds (distance) C4'-P energy: -5.427 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.479 flat angles P-C4'-P energy: -2.947 tors. eta vs tors. theta energy: -5.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -38.059459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.059459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.059459 (E_RNA) where: Base-Base interactions energy: -16.610 where: short stacking energy: -16.610 Base-Backbone interact. energy: -0.002 local terms energy: -21.447321 where: bonds (distance) C4'-P energy: -4.275 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -4.503 flat angles P-C4'-P energy: -4.974 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: 7, replica: 7 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -36.279532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.279532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.279532 (E_RNA) where: Base-Base interactions energy: -11.949 where: short stacking energy: -11.949 Base-Backbone interact. energy: -0.001 local terms energy: -24.330309 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.014 flat angles P-C4'-P energy: -3.399 tors. eta vs tors. theta energy: -3.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -40.576272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.576272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.576272 (E_RNA) where: Base-Base interactions energy: -15.582 where: short stacking energy: -15.582 Base-Backbone interact. energy: -0.084 local terms energy: -24.910935 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.618 flat angles P-C4'-P energy: -2.770 tors. eta vs tors. theta energy: -4.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -34.476562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.476562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.476562 (E_RNA) where: Base-Base interactions energy: -11.559 where: short stacking energy: -11.559 Base-Backbone interact. energy: -0.004 local terms energy: -22.913388 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -4.162 flat angles C4'-P-C4' energy: -4.831 flat angles P-C4'-P energy: -4.225 tors. eta vs tors. theta energy: -3.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -32.888276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.888276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.888276 (E_RNA) where: Base-Base interactions energy: -14.730 where: short stacking energy: -6.148 Base-Backbone interact. energy: -0.050 local terms energy: -18.108581 where: bonds (distance) C4'-P energy: -3.833 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -1.678 flat angles P-C4'-P energy: -4.423 tors. eta vs tors. theta energy: -1.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -47.852304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.852304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.852304 (E_RNA) where: Base-Base interactions energy: -22.716 where: short stacking energy: -22.716 Base-Backbone interact. energy: -0.000 local terms energy: -25.136465 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -5.699 flat angles C4'-P-C4' energy: -5.808 flat angles P-C4'-P energy: -2.795 tors. eta vs tors. theta energy: -4.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -46.728740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.728740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.728740 (E_RNA) where: Base-Base interactions energy: -21.047 where: short stacking energy: -21.047 Base-Backbone interact. energy: -0.042 local terms energy: -25.639706 where: bonds (distance) C4'-P energy: -4.810 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -4.917 flat angles P-C4'-P energy: -4.997 tors. eta vs tors. theta energy: -3.772 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: 4 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -40.293125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.293125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.293125 (E_RNA) where: Base-Base interactions energy: -15.866 where: short stacking energy: -15.866 Base-Backbone interact. energy: -0.000 local terms energy: -24.426799 where: bonds (distance) C4'-P energy: -4.980 bonds (distance) P-C4' energy: -4.755 flat angles C4'-P-C4' energy: -5.731 flat angles P-C4'-P energy: -4.138 tors. eta vs tors. theta energy: -4.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -40.762357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.762357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.762357 (E_RNA) where: Base-Base interactions energy: -19.838 where: short stacking energy: -18.237 Base-Backbone interact. energy: -0.158 local terms energy: -20.766707 where: bonds (distance) C4'-P energy: -2.144 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -5.107 flat angles P-C4'-P energy: -4.370 tors. eta vs tors. theta energy: -2.003 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: 5, replica: 2 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -36.630281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.630281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.630281 (E_RNA) where: Base-Base interactions energy: -18.313 where: short stacking energy: -7.832 Base-Backbone interact. energy: -0.615 local terms energy: -17.702870 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -3.028 flat angles C4'-P-C4' energy: -6.401 flat angles P-C4'-P energy: -5.344 tors. eta vs tors. theta energy: 1.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -35.445249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.445249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.445249 (E_RNA) where: Base-Base interactions energy: -18.100 where: short stacking energy: -10.370 Base-Backbone interact. energy: 0.576 local terms energy: -17.921389 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -4.751 flat angles C4'-P-C4' energy: -4.938 flat angles P-C4'-P energy: -2.791 tors. eta vs tors. theta energy: 0.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -35.409682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.409682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.409682 (E_RNA) where: Base-Base interactions energy: -16.502 where: short stacking energy: -13.961 Base-Backbone interact. energy: -0.005 local terms energy: -18.903047 where: bonds (distance) C4'-P energy: -4.247 bonds (distance) P-C4' energy: -5.157 flat angles C4'-P-C4' energy: -4.802 flat angles P-C4'-P energy: -4.034 tors. eta vs tors. theta energy: -0.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -39.409610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.409610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.409610 (E_RNA) where: Base-Base interactions energy: -13.509 where: short stacking energy: -13.509 Base-Backbone interact. energy: -0.019 local terms energy: -25.882160 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.552 flat angles P-C4'-P energy: -3.653 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: 9 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -30.706548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.706548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.706548 (E_RNA) where: Base-Base interactions energy: -11.107 where: short stacking energy: -8.188 Base-Backbone interact. energy: -0.499 local terms energy: -19.100280 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -4.486 flat angles P-C4'-P energy: -3.600 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: 63 Temperature: 1.350000 Total energy: -32.745289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.745289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.745289 (E_RNA) where: Base-Base interactions energy: -10.692 where: short stacking energy: -10.692 Base-Backbone interact. energy: -0.023 local terms energy: -22.030024 where: bonds (distance) C4'-P energy: -4.508 bonds (distance) P-C4' energy: -5.895 flat angles C4'-P-C4' energy: -3.922 flat angles P-C4'-P energy: -2.604 tors. eta vs tors. theta energy: -5.102 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: 1 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -51.001330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.001330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.001330 (E_RNA) where: Base-Base interactions energy: -24.686 where: short stacking energy: -20.300 Base-Backbone interact. energy: -0.000 local terms energy: -26.314678 where: bonds (distance) C4'-P energy: -4.603 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -6.116 flat angles P-C4'-P energy: -4.333 tors. eta vs tors. theta energy: -6.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -50.889428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.889428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.889428 (E_RNA) where: Base-Base interactions energy: -22.204 where: short stacking energy: -22.204 Base-Backbone interact. energy: -0.000 local terms energy: -28.685147 where: bonds (distance) C4'-P energy: -4.454 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -6.082 flat angles P-C4'-P energy: -5.778 tors. eta vs tors. theta energy: -5.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -40.489509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.489509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.489509 (E_RNA) where: Base-Base interactions energy: -23.617 where: short stacking energy: -12.263 Base-Backbone interact. energy: -0.007 local terms energy: -16.864796 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -3.734 flat angles C4'-P-C4' energy: -2.786 flat angles P-C4'-P energy: -2.703 tors. eta vs tors. theta energy: -2.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -42.894444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.894444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.894444 (E_RNA) where: Base-Base interactions energy: -17.941 where: short stacking energy: -17.941 Base-Backbone interact. energy: -0.005 local terms energy: -24.948115 where: bonds (distance) C4'-P energy: -4.913 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.661 flat angles P-C4'-P energy: -2.911 tors. eta vs tors. theta energy: -5.816 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: 7 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -35.979847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.979847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.979847 (E_RNA) where: Base-Base interactions energy: -18.426 where: short stacking energy: -8.419 Base-Backbone interact. energy: 0.207 local terms energy: -17.761473 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -5.205 flat angles C4'-P-C4' energy: -5.951 flat angles P-C4'-P energy: -2.820 tors. eta vs tors. theta energy: 1.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -42.875417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.875417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.875417 (E_RNA) where: Base-Base interactions energy: -19.020 where: short stacking energy: -19.020 Base-Backbone interact. energy: 0.544 local terms energy: -24.399424 where: bonds (distance) C4'-P energy: -1.424 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.205 flat angles P-C4'-P energy: -5.070 tors. eta vs tors. theta energy: -6.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -43.346913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.346913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.346913 (E_RNA) where: Base-Base interactions energy: -23.207 where: short stacking energy: -23.207 Base-Backbone interact. energy: -0.000 local terms energy: -20.139549 where: bonds (distance) C4'-P energy: -3.680 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -3.401 flat angles P-C4'-P energy: -2.731 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: 8, replica: 3 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -36.245556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.245556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.245556 (E_RNA) where: Base-Base interactions energy: -17.690 where: short stacking energy: -8.533 Base-Backbone interact. energy: -0.104 local terms energy: -18.451784 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -5.639 flat angles P-C4'-P energy: -1.822 tors. eta vs tors. theta energy: 0.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -32.398634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.398634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.398634 (E_RNA) where: Base-Base interactions energy: -9.901 where: short stacking energy: -7.260 Base-Backbone interact. energy: -0.073 local terms energy: -22.424546 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -3.267 flat angles P-C4'-P energy: -5.431 tors. eta vs tors. theta energy: -0.831 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: 10, replica: 9 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -43.988188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.988188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.988188 (E_RNA) where: Base-Base interactions energy: -20.695 where: short stacking energy: -20.695 Base-Backbone interact. energy: -0.000 local terms energy: -23.293161 where: bonds (distance) C4'-P energy: -2.524 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.588 flat angles P-C4'-P energy: -2.812 tors. eta vs tors. theta energy: -5.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -47.173129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.173129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.173129 (E_RNA) where: Base-Base interactions energy: -20.785 where: short stacking energy: -20.785 Base-Backbone interact. energy: -0.000 local terms energy: -26.388430 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.724 flat angles P-C4'-P energy: -3.999 tors. eta vs tors. theta energy: -5.547 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: 10 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -39.982216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.982216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.982216 (E_RNA) where: Base-Base interactions energy: -16.905 where: short stacking energy: -16.905 Base-Backbone interact. energy: -0.000 local terms energy: -23.076750 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -3.968 flat angles P-C4'-P energy: -2.661 tors. eta vs tors. theta energy: -3.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -47.305060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.305060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.305060 (E_RNA) where: Base-Base interactions energy: -18.812 where: short stacking energy: -18.812 Base-Backbone interact. energy: -0.000 local terms energy: -28.493522 where: bonds (distance) C4'-P energy: -4.223 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -6.095 flat angles P-C4'-P energy: -3.666 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: 4, replica: 7 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -49.577755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.577755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.577755 (E_RNA) where: Base-Base interactions energy: -19.362 where: short stacking energy: -19.362 Base-Backbone interact. energy: -0.000 local terms energy: -30.215297 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.361 flat angles C4'-P-C4' energy: -6.715 flat angles P-C4'-P energy: -4.309 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: 5, replica: 4 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -42.908241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.908241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.908241 (E_RNA) where: Base-Base interactions energy: -23.329 where: short stacking energy: -6.710 Base-Backbone interact. energy: -0.003 local terms energy: -19.576366 where: bonds (distance) C4'-P energy: -4.755 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.778 flat angles P-C4'-P energy: -2.718 tors. eta vs tors. theta energy: 0.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -36.092850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.092850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.092850 (E_RNA) where: Base-Base interactions energy: -11.615 where: short stacking energy: -11.615 Base-Backbone interact. energy: -0.006 local terms energy: -24.471814 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -6.216 flat angles P-C4'-P energy: -3.350 tors. eta vs tors. theta energy: -1.671 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: 2 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -42.402614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.402614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.402614 (E_RNA) where: Base-Base interactions energy: -16.986 where: short stacking energy: -16.986 Base-Backbone interact. energy: -0.000 local terms energy: -25.416783 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.171 flat angles P-C4'-P energy: -4.219 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: 8, replica: 8 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -35.163641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.163641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.163641 (E_RNA) where: Base-Base interactions energy: -13.247 where: short stacking energy: -13.247 Base-Backbone interact. energy: -0.016 local terms energy: -21.901216 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -4.774 flat angles P-C4'-P energy: -2.982 tors. eta vs tors. theta energy: -2.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -30.267037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.267037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.267037 (E_RNA) where: Base-Base interactions energy: -10.005 where: short stacking energy: -10.005 Base-Backbone interact. energy: -0.003 local terms energy: -20.258482 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -5.925 flat angles P-C4'-P energy: -2.903 tors. eta vs tors. theta energy: 0.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -32.713309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.713309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.713309 (E_RNA) where: Base-Base interactions energy: -13.007 where: short stacking energy: -8.935 Base-Backbone interact. energy: -0.012 local terms energy: -19.694359 where: bonds (distance) C4'-P energy: -2.943 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -3.350 flat angles P-C4'-P energy: -4.653 tors. eta vs tors. theta energy: -2.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -54.889753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.889753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.889753 (E_RNA) where: Base-Base interactions energy: -26.056 where: short stacking energy: -26.056 Base-Backbone interact. energy: -0.000 local terms energy: -28.833672 where: bonds (distance) C4'-P energy: -4.172 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -6.038 flat angles P-C4'-P energy: -4.878 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: 2, replica: 1 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -51.970466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.970466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.970466 (E_RNA) where: Base-Base interactions energy: -22.413 where: short stacking energy: -22.413 Base-Backbone interact. energy: -0.000 local terms energy: -29.557354 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.759 flat angles P-C4'-P energy: -4.098 tors. eta vs tors. theta energy: -7.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -44.150908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.150908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.150908 (E_RNA) where: Base-Base interactions energy: -17.850 where: short stacking energy: -17.850 Base-Backbone interact. energy: -0.000 local terms energy: -26.300802 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.902 flat angles P-C4'-P energy: -3.848 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: 4, replica: 5 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -41.234286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.234286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.234286 (E_RNA) where: Base-Base interactions energy: -15.632 where: short stacking energy: -15.632 Base-Backbone interact. energy: -0.377 local terms energy: -25.225501 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -5.150 flat angles C4'-P-C4' energy: -5.082 flat angles P-C4'-P energy: -4.170 tors. eta vs tors. theta energy: -5.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -42.413003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.413003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.413003 (E_RNA) where: Base-Base interactions energy: -16.558 where: short stacking energy: -16.558 Base-Backbone interact. energy: -0.024 local terms energy: -25.831565 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -4.935 flat angles P-C4'-P energy: -5.308 tors. eta vs tors. theta energy: -2.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -38.531667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.531667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.531667 (E_RNA) where: Base-Base interactions energy: -18.087 where: short stacking energy: -18.087 Base-Backbone interact. energy: 0.629 local terms energy: -21.072836 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -4.011 flat angles C4'-P-C4' energy: -3.943 flat angles P-C4'-P energy: -4.934 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: 7, replica: 8 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -37.756594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.756594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.756594 (E_RNA) where: Base-Base interactions energy: -16.381 where: short stacking energy: -15.881 Base-Backbone interact. energy: -0.094 local terms energy: -21.281832 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -4.677 flat angles C4'-P-C4' energy: -4.963 flat angles P-C4'-P energy: -3.776 tors. eta vs tors. theta energy: -1.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -37.382133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.382133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.382133 (E_RNA) where: Base-Base interactions energy: -17.060 where: short stacking energy: -17.060 Base-Backbone interact. energy: -0.000 local terms energy: -20.321818 where: bonds (distance) C4'-P energy: -3.921 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.780 flat angles P-C4'-P energy: -3.094 tors. eta vs tors. theta energy: -1.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -37.010594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.010594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.010594 (E_RNA) where: Base-Base interactions energy: -13.944 where: short stacking energy: -13.944 Base-Backbone interact. energy: -0.000 local terms energy: -23.066244 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.805 flat angles P-C4'-P energy: -3.887 tors. eta vs tors. theta energy: -4.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -33.854837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.854837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.854837 (E_RNA) where: Base-Base interactions energy: -13.148 where: short stacking energy: -8.841 Base-Backbone interact. energy: -0.045 local terms energy: -20.662109 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.903 flat angles P-C4'-P energy: -1.442 tors. eta vs tors. theta energy: -0.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -53.811430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.811430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.811430 (E_RNA) where: Base-Base interactions energy: -29.946 where: short stacking energy: -21.149 Base-Backbone interact. energy: -0.000 local terms energy: -23.865048 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -5.699 flat angles C4'-P-C4' energy: -5.409 flat angles P-C4'-P energy: -1.791 tors. eta vs tors. theta energy: -5.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -50.137483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.137483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.137483 (E_RNA) where: Base-Base interactions energy: -22.071 where: short stacking energy: -22.071 Base-Backbone interact. energy: -0.009 local terms energy: -28.057138 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.234 flat angles P-C4'-P energy: -3.327 tors. eta vs tors. theta energy: -5.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -47.016502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.016502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.016502 (E_RNA) where: Base-Base interactions energy: -20.809 where: short stacking energy: -20.809 Base-Backbone interact. energy: -0.000 local terms energy: -26.207083 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -5.674 flat angles C4'-P-C4' energy: -6.603 flat angles P-C4'-P energy: -2.906 tors. eta vs tors. theta energy: -5.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -41.297626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.297626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.297626 (E_RNA) where: Base-Base interactions energy: -16.874 where: short stacking energy: -16.874 Base-Backbone interact. energy: -0.000 local terms energy: -24.423687 where: bonds (distance) C4'-P energy: -6.023 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -5.856 flat angles P-C4'-P energy: -2.874 tors. eta vs tors. theta energy: -4.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -42.397950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.397950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.397950 (E_RNA) where: Base-Base interactions energy: -19.156 where: short stacking energy: -19.156 Base-Backbone interact. energy: -0.000 local terms energy: -23.241509 where: bonds (distance) C4'-P energy: -5.393 bonds (distance) P-C4' energy: -5.843 flat angles C4'-P-C4' energy: -3.421 flat angles P-C4'-P energy: -2.620 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: 6, replica: 8 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -44.604147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.604147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.604147 (E_RNA) where: Base-Base interactions energy: -23.767 where: short stacking energy: -7.376 Base-Backbone interact. energy: -0.542 local terms energy: -20.295605 where: bonds (distance) C4'-P energy: -4.913 bonds (distance) P-C4' energy: -5.420 flat angles C4'-P-C4' energy: -5.373 flat angles P-C4'-P energy: -3.624 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: 7, replica: 4 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -35.022753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.022753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.022753 (E_RNA) where: Base-Base interactions energy: -14.501 where: short stacking energy: -14.501 Base-Backbone interact. energy: -0.013 local terms energy: -20.509180 where: bonds (distance) C4'-P energy: -4.223 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -5.673 flat angles P-C4'-P energy: -4.527 tors. eta vs tors. theta energy: 0.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -29.962362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.962362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.962362 (E_RNA) where: Base-Base interactions energy: -9.594 where: short stacking energy: -9.594 Base-Backbone interact. energy: -0.337 local terms energy: -20.031762 where: bonds (distance) C4'-P energy: -3.034 bonds (distance) P-C4' energy: -5.995 flat angles C4'-P-C4' energy: -5.558 flat angles P-C4'-P energy: -3.643 tors. eta vs tors. theta energy: -1.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -42.208083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.208083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.208083 (E_RNA) where: Base-Base interactions energy: -17.592 where: short stacking energy: -17.592 Base-Backbone interact. energy: -0.000 local terms energy: -24.615988 where: bonds (distance) C4'-P energy: -5.667 bonds (distance) P-C4' energy: -4.854 flat angles C4'-P-C4' energy: -5.850 flat angles P-C4'-P energy: -2.533 tors. eta vs tors. theta energy: -5.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -33.410605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.410605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.410605 (E_RNA) where: Base-Base interactions energy: -13.563 where: short stacking energy: -13.563 Base-Backbone interact. energy: -0.001 local terms energy: -19.847010 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -5.050 flat angles P-C4'-P energy: -2.109 tors. eta vs tors. theta energy: -0.684 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: 7 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -48.182944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.182944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.182944 (E_RNA) where: Base-Base interactions energy: -20.490 where: short stacking energy: -20.490 Base-Backbone interact. energy: -0.006 local terms energy: -27.686333 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.645 flat angles P-C4'-P energy: -3.928 tors. eta vs tors. theta energy: -6.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -46.420628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.420628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.420628 (E_RNA) where: Base-Base interactions energy: -18.555 where: short stacking energy: -18.555 Base-Backbone interact. energy: -0.000 local terms energy: -27.865444 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -5.699 flat angles C4'-P-C4' energy: -5.360 flat angles P-C4'-P energy: -4.748 tors. eta vs tors. theta energy: -6.015 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: 6 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -39.973433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.973433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.973433 (E_RNA) where: Base-Base interactions energy: -16.384 where: short stacking energy: -12.381 Base-Backbone interact. energy: -0.014 local terms energy: -23.575325 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.119 flat angles P-C4'-P energy: -5.467 tors. eta vs tors. theta energy: -0.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -59.546790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.546790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.546790 (E_RNA) where: Base-Base interactions energy: -37.687 where: short stacking energy: -17.329 Base-Backbone interact. energy: -0.022 local terms energy: -21.837407 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -5.202 flat angles C4'-P-C4' energy: -6.013 flat angles P-C4'-P energy: -2.133 tors. eta vs tors. theta energy: -2.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -44.851910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.851910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.851910 (E_RNA) where: Base-Base interactions energy: -17.066 where: short stacking energy: -17.066 Base-Backbone interact. energy: -0.000 local terms energy: -27.785819 where: bonds (distance) C4'-P energy: -5.252 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.607 flat angles P-C4'-P energy: -2.287 tors. eta vs tors. theta energy: -6.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -38.860137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.860137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.860137 (E_RNA) where: Base-Base interactions energy: -19.036 where: short stacking energy: -19.036 Base-Backbone interact. energy: -0.004 local terms energy: -19.819682 where: bonds (distance) C4'-P energy: -3.229 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -3.348 flat angles P-C4'-P energy: -4.393 tors. eta vs tors. theta energy: -2.232 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: 4 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -37.407363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.407363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.407363 (E_RNA) where: Base-Base interactions energy: -13.983 where: short stacking energy: -13.983 Base-Backbone interact. energy: -0.000 local terms energy: -23.424297 where: bonds (distance) C4'-P energy: -4.107 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -5.730 flat angles P-C4'-P energy: -3.717 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: 9 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -35.544244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.544244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.544244 (E_RNA) where: Base-Base interactions energy: -16.947 where: short stacking energy: -16.947 Base-Backbone interact. energy: -0.001 local terms energy: -18.596197 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -4.205 flat angles C4'-P-C4' energy: -4.674 flat angles P-C4'-P energy: -3.583 tors. eta vs tors. theta energy: -0.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -32.485698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.485698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.485698 (E_RNA) where: Base-Base interactions energy: -10.677 where: short stacking energy: -10.677 Base-Backbone interact. energy: -0.000 local terms energy: -21.808289 where: bonds (distance) C4'-P energy: -4.523 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -3.363 flat angles P-C4'-P energy: -4.475 tors. eta vs tors. theta energy: -2.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -33.224605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.224605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.224605 (E_RNA) where: Base-Base interactions energy: -8.969 where: short stacking energy: -8.969 Base-Backbone interact. energy: -0.000 local terms energy: -24.255452 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -5.345 flat angles P-C4'-P energy: -4.514 tors. eta vs tors. theta energy: -2.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -50.760418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.760418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.760418 (E_RNA) where: Base-Base interactions energy: -24.996 where: short stacking energy: -18.929 Base-Backbone interact. energy: 0.100 local terms energy: -25.863953 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -6.169 flat angles P-C4'-P energy: -4.499 tors. eta vs tors. theta energy: -4.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -51.297369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.297369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.297369 (E_RNA) where: Base-Base interactions energy: -24.062 where: short stacking energy: -24.062 Base-Backbone interact. energy: -0.000 local terms energy: -27.235511 where: bonds (distance) C4'-P energy: -4.772 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -6.363 flat angles P-C4'-P energy: -2.255 tors. eta vs tors. theta energy: -7.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -45.101277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.101277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.101277 (E_RNA) where: Base-Base interactions energy: -17.156 where: short stacking energy: -17.156 Base-Backbone interact. energy: -0.000 local terms energy: -27.945690 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.604 flat angles P-C4'-P energy: -4.889 tors. eta vs tors. theta energy: -3.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -44.412558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.412558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.412558 (E_RNA) where: Base-Base interactions energy: -20.599 where: short stacking energy: -20.599 Base-Backbone interact. energy: -0.000 local terms energy: -23.812904 where: bonds (distance) C4'-P energy: -2.764 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.484 flat angles P-C4'-P energy: -4.049 tors. eta vs tors. theta energy: -5.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -39.786740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.786740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.786740 (E_RNA) where: Base-Base interactions energy: -18.252 where: short stacking energy: -18.252 Base-Backbone interact. energy: -0.006 local terms energy: -21.528895 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -4.245 flat angles P-C4'-P energy: -3.392 tors. eta vs tors. theta energy: -2.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -42.481708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.481708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.481708 (E_RNA) where: Base-Base interactions energy: -22.413 where: short stacking energy: -22.413 Base-Backbone interact. energy: -0.040 local terms energy: -20.029532 where: bonds (distance) C4'-P energy: -3.634 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -3.383 flat angles P-C4'-P energy: -3.992 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: 7, replica: 5 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -37.884653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.884653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.884653 (E_RNA) where: Base-Base interactions energy: -17.816 where: short stacking energy: -17.816 Base-Backbone interact. energy: -0.020 local terms energy: -20.048632 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -5.889 flat angles P-C4'-P energy: -0.465 tors. eta vs tors. theta energy: -2.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -39.509991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.509991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.509991 (E_RNA) where: Base-Base interactions energy: -17.256 where: short stacking energy: -17.256 Base-Backbone interact. energy: -0.012 local terms energy: -22.241855 where: bonds (distance) C4'-P energy: -4.603 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.764 flat angles P-C4'-P energy: -4.224 tors. eta vs tors. theta energy: -1.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -40.473286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.473286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.473286 (E_RNA) where: Base-Base interactions energy: -16.583 where: short stacking energy: -16.583 Base-Backbone interact. energy: -0.000 local terms energy: -23.890604 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -6.106 flat angles P-C4'-P energy: -1.336 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: 10, replica: 2 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -39.464736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.464736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.464736 (E_RNA) where: Base-Base interactions energy: -15.179 where: short stacking energy: -15.179 Base-Backbone interact. energy: -0.000 local terms energy: -24.285484 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -4.830 flat angles P-C4'-P energy: -3.197 tors. eta vs tors. theta energy: -5.601 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: 6 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -56.595323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.595323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.595323 (E_RNA) where: Base-Base interactions energy: -25.305 where: short stacking energy: -25.305 Base-Backbone interact. energy: -0.000 local terms energy: -31.290149 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -6.766 flat angles P-C4'-P energy: -4.376 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: 2, replica: 7 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -43.287523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.287523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.287523 (E_RNA) where: Base-Base interactions energy: -18.950 where: short stacking energy: -18.950 Base-Backbone interact. energy: -0.000 local terms energy: -24.337219 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -6.124 flat angles C4'-P-C4' energy: -5.888 flat angles P-C4'-P energy: -2.877 tors. eta vs tors. theta energy: -4.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -44.342004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.342004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.342004 (E_RNA) where: Base-Base interactions energy: -19.645 where: short stacking energy: -19.645 Base-Backbone interact. energy: -0.000 local terms energy: -24.697256 where: bonds (distance) C4'-P energy: -4.540 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.816 flat angles P-C4'-P energy: -4.524 tors. eta vs tors. theta energy: -3.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -47.196686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.196686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.196686 (E_RNA) where: Base-Base interactions energy: -17.782 where: short stacking energy: -17.782 Base-Backbone interact. energy: -0.000 local terms energy: -29.414848 where: bonds (distance) C4'-P energy: -5.617 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.381 flat angles P-C4'-P energy: -3.485 tors. eta vs tors. theta energy: -7.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -46.192456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.192456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.192456 (E_RNA) where: Base-Base interactions energy: -25.954 where: short stacking energy: -12.045 Base-Backbone interact. energy: -0.002 local terms energy: -20.236680 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -4.570 flat angles P-C4'-P energy: 1.008 tors. eta vs tors. theta energy: -4.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -38.719138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.719138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.719138 (E_RNA) where: Base-Base interactions energy: -16.558 where: short stacking energy: -16.558 Base-Backbone interact. energy: -0.000 local terms energy: -22.160832 where: bonds (distance) C4'-P energy: -4.012 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -4.521 flat angles P-C4'-P energy: -3.661 tors. eta vs tors. theta energy: -3.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -35.757453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.757453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.757453 (E_RNA) where: Base-Base interactions energy: -11.248 where: short stacking energy: -11.248 Base-Backbone interact. energy: -0.008 local terms energy: -24.500721 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.481 flat angles P-C4'-P energy: -3.511 tors. eta vs tors. theta energy: -2.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -35.023302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.023302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.023302 (E_RNA) where: Base-Base interactions energy: -13.796 where: short stacking energy: -13.408 Base-Backbone interact. energy: -0.001 local terms energy: -21.226815 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.362 flat angles P-C4'-P energy: -2.796 tors. eta vs tors. theta energy: -0.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -34.219032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.219032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.219032 (E_RNA) where: Base-Base interactions energy: -12.890 where: short stacking energy: -12.890 Base-Backbone interact. energy: -0.016 local terms energy: -21.313616 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.304 flat angles C4'-P-C4' energy: -5.427 flat angles P-C4'-P energy: -4.856 tors. eta vs tors. theta energy: 0.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -33.137802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.137802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.137802 (E_RNA) where: Base-Base interactions energy: -12.840 where: short stacking energy: -12.840 Base-Backbone interact. energy: -0.008 local terms energy: -20.290761 where: bonds (distance) C4'-P energy: -3.920 bonds (distance) P-C4' energy: -3.644 flat angles C4'-P-C4' energy: -5.591 flat angles P-C4'-P energy: -5.411 tors. eta vs tors. theta energy: -1.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -42.880800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.880800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.880800 (E_RNA) where: Base-Base interactions energy: -16.867 where: short stacking energy: -16.867 Base-Backbone interact. energy: -0.052 local terms energy: -25.961807 where: bonds (distance) C4'-P energy: -5.215 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -6.278 flat angles P-C4'-P energy: -4.756 tors. eta vs tors. theta energy: -3.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -45.337009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.337009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.337009 (E_RNA) where: Base-Base interactions energy: -22.713 where: short stacking energy: -13.710 Base-Backbone interact. energy: -0.615 local terms energy: -22.008143 where: bonds (distance) C4'-P energy: -5.845 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.396 flat angles P-C4'-P energy: -3.008 tors. eta vs tors. theta energy: -2.779 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: 3, replica: 7 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -43.134619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.134619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.134619 (E_RNA) where: Base-Base interactions energy: -16.369 where: short stacking energy: -16.369 Base-Backbone interact. energy: -0.000 local terms energy: -26.765717 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -4.854 flat angles C4'-P-C4' energy: -6.367 flat angles P-C4'-P energy: -4.716 tors. eta vs tors. theta energy: -6.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -48.237728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.237728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.237728 (E_RNA) where: Base-Base interactions energy: -22.001 where: short stacking energy: -22.001 Base-Backbone interact. energy: -0.000 local terms energy: -26.236500 where: bonds (distance) C4'-P energy: -3.394 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.641 flat angles P-C4'-P energy: -3.557 tors. eta vs tors. theta energy: -7.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -41.622698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.622698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.622698 (E_RNA) where: Base-Base interactions energy: -19.321 where: short stacking energy: -19.321 Base-Backbone interact. energy: -0.000 local terms energy: -22.301400 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -4.810 flat angles C4'-P-C4' energy: -4.372 flat angles P-C4'-P energy: -3.445 tors. eta vs tors. theta energy: -5.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -38.092397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.092397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.092397 (E_RNA) where: Base-Base interactions energy: -12.190 where: short stacking energy: -7.555 Base-Backbone interact. energy: -0.000 local terms energy: -25.902080 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -6.142 flat angles P-C4'-P energy: -3.869 tors. eta vs tors. theta energy: -3.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -34.385411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.385411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.385411 (E_RNA) where: Base-Base interactions energy: -14.055 where: short stacking energy: -14.055 Base-Backbone interact. energy: -0.000 local terms energy: -20.330477 where: bonds (distance) C4'-P energy: -4.983 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -4.761 flat angles P-C4'-P energy: -2.359 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: 8, replica: 2 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -35.858425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.858425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.858425 (E_RNA) where: Base-Base interactions energy: -15.335 where: short stacking energy: -15.280 Base-Backbone interact. energy: -0.070 local terms energy: -20.453379 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -2.806 flat angles C4'-P-C4' energy: -5.703 flat angles P-C4'-P energy: -2.859 tors. eta vs tors. theta energy: -4.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -33.861856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.861856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.861856 (E_RNA) where: Base-Base interactions energy: -14.045 where: short stacking energy: -14.045 Base-Backbone interact. energy: -0.024 local terms energy: -19.793163 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -5.103 flat angles C4'-P-C4' energy: -3.763 flat angles P-C4'-P energy: -3.063 tors. eta vs tors. theta energy: -1.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -37.917093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.917093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.917093 (E_RNA) where: Base-Base interactions energy: -16.262 where: short stacking energy: -16.262 Base-Backbone interact. energy: -0.086 local terms energy: -21.569394 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -4.897 flat angles P-C4'-P energy: -2.505 tors. eta vs tors. theta energy: -3.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -56.852350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.852350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.852350 (E_RNA) where: Base-Base interactions energy: -37.166 where: short stacking energy: -19.022 Base-Backbone interact. energy: -0.005 local terms energy: -19.681779 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -4.659 flat angles C4'-P-C4' energy: -4.642 flat angles P-C4'-P energy: -1.461 tors. eta vs tors. theta energy: -3.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -49.950520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.950520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.950520 (E_RNA) where: Base-Base interactions energy: -21.958 where: short stacking energy: -21.958 Base-Backbone interact. energy: -0.000 local terms energy: -27.992971 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -5.758 flat angles P-C4'-P energy: -5.485 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: 3, replica: 4 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -44.763585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.763585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.763585 (E_RNA) where: Base-Base interactions energy: -19.932 where: short stacking energy: -19.932 Base-Backbone interact. energy: -0.014 local terms energy: -24.818254 where: bonds (distance) C4'-P energy: -5.100 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -5.712 flat angles P-C4'-P energy: -4.355 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: 4, replica: 7 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -39.907125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.907125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.907125 (E_RNA) where: Base-Base interactions energy: -16.276 where: short stacking energy: -16.276 Base-Backbone interact. energy: -0.014 local terms energy: -23.617009 where: bonds (distance) C4'-P energy: -3.787 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -6.166 flat angles P-C4'-P energy: -3.453 tors. eta vs tors. theta energy: -3.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -37.532295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.532295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.532295 (E_RNA) where: Base-Base interactions energy: -17.238 where: short stacking energy: -10.942 Base-Backbone interact. energy: -0.040 local terms energy: -20.254410 where: bonds (distance) C4'-P energy: -4.615 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -5.813 flat angles P-C4'-P energy: -2.634 tors. eta vs tors. theta energy: -1.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -42.408794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.408794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.408794 (E_RNA) where: Base-Base interactions energy: -19.195 where: short stacking energy: -19.195 Base-Backbone interact. energy: -0.002 local terms energy: -23.211272 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -5.828 flat angles P-C4'-P energy: -4.657 tors. eta vs tors. theta energy: -2.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -33.193430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.193430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.193430 (E_RNA) where: Base-Base interactions energy: -17.293 where: short stacking energy: -11.171 Base-Backbone interact. energy: 0.476 local terms energy: -16.376051 where: bonds (distance) C4'-P energy: -3.981 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -4.962 flat angles P-C4'-P energy: -1.691 tors. eta vs tors. theta energy: -1.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -32.458284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.458284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.458284 (E_RNA) where: Base-Base interactions energy: -11.736 where: short stacking energy: -11.736 Base-Backbone interact. energy: -0.000 local terms energy: -20.722020 where: bonds (distance) C4'-P energy: -4.657 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -6.224 flat angles P-C4'-P energy: -1.557 tors. eta vs tors. theta energy: -2.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -34.672299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.672299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.672299 (E_RNA) where: Base-Base interactions energy: -13.449 where: short stacking energy: -13.449 Base-Backbone interact. energy: -0.004 local terms energy: -21.218739 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -5.330 flat angles C4'-P-C4' energy: -4.515 flat angles P-C4'-P energy: -4.104 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: 10, replica: 5 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -41.238704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.238704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.238704 (E_RNA) where: Base-Base interactions energy: -15.578 where: short stacking energy: -15.578 Base-Backbone interact. energy: -0.032 local terms energy: -25.628258 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.556 flat angles P-C4'-P energy: -2.567 tors. eta vs tors. theta energy: -5.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -43.753212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.753212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.753212 (E_RNA) where: Base-Base interactions energy: -18.536 where: short stacking energy: -18.536 Base-Backbone interact. energy: -0.000 local terms energy: -25.217373 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.779 flat angles P-C4'-P energy: -4.012 tors. eta vs tors. theta energy: -4.029 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: 4 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -42.588388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.588388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.588388 (E_RNA) where: Base-Base interactions energy: -17.020 where: short stacking energy: -17.020 Base-Backbone interact. energy: -0.000 local terms energy: -25.568376 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -6.326 flat angles P-C4'-P energy: -4.216 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: 3, replica: 6 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -39.770895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.770895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.770895 (E_RNA) where: Base-Base interactions energy: -18.808 where: short stacking energy: -18.143 Base-Backbone interact. energy: -0.060 local terms energy: -20.903284 where: bonds (distance) C4'-P energy: -5.306 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.990 flat angles P-C4'-P energy: -2.948 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: 4, replica: 3 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -38.946645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.946645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.946645 (E_RNA) where: Base-Base interactions energy: -15.490 where: short stacking energy: -15.490 Base-Backbone interact. energy: -0.000 local terms energy: -23.456295 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -5.417 flat angles C4'-P-C4' energy: -3.471 flat angles P-C4'-P energy: -4.341 tors. eta vs tors. theta energy: -3.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -44.591832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.591832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.591832 (E_RNA) where: Base-Base interactions energy: -19.310 where: short stacking energy: -19.310 Base-Backbone interact. energy: -0.000 local terms energy: -25.282097 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.707 flat angles P-C4'-P energy: -3.843 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: 6, replica: 1 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -35.228861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.228861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.228861 (E_RNA) where: Base-Base interactions energy: -12.364 where: short stacking energy: -12.364 Base-Backbone interact. energy: -0.005 local terms energy: -22.859388 where: bonds (distance) C4'-P energy: -5.277 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -5.266 flat angles P-C4'-P energy: -3.076 tors. eta vs tors. theta energy: -2.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -42.482914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.482914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.482914 (E_RNA) where: Base-Base interactions energy: -18.939 where: short stacking energy: -18.939 Base-Backbone interact. energy: -0.000 local terms energy: -23.543656 where: bonds (distance) C4'-P energy: -3.237 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.094 flat angles P-C4'-P energy: -4.616 tors. eta vs tors. theta energy: -3.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -39.749241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.749241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.749241 (E_RNA) where: Base-Base interactions energy: -16.212 where: short stacking energy: -16.212 Base-Backbone interact. energy: -0.095 local terms energy: -23.442481 where: bonds (distance) C4'-P energy: -4.682 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.363 flat angles P-C4'-P energy: -2.899 tors. eta vs tors. theta energy: -2.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -43.353468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.353468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.353468 (E_RNA) where: Base-Base interactions energy: -23.670 where: short stacking energy: -19.500 Base-Backbone interact. energy: -0.001 local terms energy: -19.682711 where: bonds (distance) C4'-P energy: -4.309 bonds (distance) P-C4' energy: -6.104 flat angles C4'-P-C4' energy: -3.525 flat angles P-C4'-P energy: 0.594 tors. eta vs tors. theta energy: -6.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -41.389160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.389160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.389160 (E_RNA) where: Base-Base interactions energy: -18.296 where: short stacking energy: -18.296 Base-Backbone interact. energy: -0.000 local terms energy: -23.093178 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -4.554 flat angles P-C4'-P energy: -3.353 tors. eta vs tors. theta energy: -2.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -47.548539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.548539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.548539 (E_RNA) where: Base-Base interactions energy: -21.709 where: short stacking energy: -21.709 Base-Backbone interact. energy: -0.000 local terms energy: -25.839179 where: bonds (distance) C4'-P energy: -5.724 bonds (distance) P-C4' energy: -5.368 flat angles C4'-P-C4' energy: -5.528 flat angles P-C4'-P energy: -4.467 tors. eta vs tors. theta energy: -4.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -46.130159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.130159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.130159 (E_RNA) where: Base-Base interactions energy: -20.157 where: short stacking energy: -20.157 Base-Backbone interact. energy: -0.003 local terms energy: -25.969916 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -5.516 flat angles P-C4'-P energy: -4.468 tors. eta vs tors. theta energy: -4.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -53.745647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.745647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.745647 (E_RNA) where: Base-Base interactions energy: -25.844 where: short stacking energy: -20.560 Base-Backbone interact. energy: -0.000 local terms energy: -27.901978 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -6.397 flat angles P-C4'-P energy: -3.470 tors. eta vs tors. theta energy: -7.333 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: 6 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -41.966250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.966250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.966250 (E_RNA) where: Base-Base interactions energy: -18.594 where: short stacking energy: -18.594 Base-Backbone interact. energy: -0.082 local terms energy: -23.290764 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -4.634 flat angles C4'-P-C4' energy: -6.357 flat angles P-C4'-P energy: -4.048 tors. eta vs tors. theta energy: -2.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -43.172855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.172855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.172855 (E_RNA) where: Base-Base interactions energy: -20.554 where: short stacking energy: -13.697 Base-Backbone interact. energy: -0.096 local terms energy: -22.522520 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -4.844 flat angles P-C4'-P energy: -3.020 tors. eta vs tors. theta energy: -3.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -41.209050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.209050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.209050 (E_RNA) where: Base-Base interactions energy: -15.589 where: short stacking energy: -15.589 Base-Backbone interact. energy: 0.297 local terms energy: -25.917153 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.376 flat angles P-C4'-P energy: -4.591 tors. eta vs tors. theta energy: -4.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -38.892995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.892995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.892995 (E_RNA) where: Base-Base interactions energy: -17.676 where: short stacking energy: -17.676 Base-Backbone interact. energy: -0.058 local terms energy: -21.158951 where: bonds (distance) C4'-P energy: -4.089 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -3.248 flat angles P-C4'-P energy: -3.835 tors. eta vs tors. theta energy: -3.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -39.052200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.052200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.052200 (E_RNA) where: Base-Base interactions energy: -12.652 where: short stacking energy: -12.652 Base-Backbone interact. energy: -0.000 local terms energy: -26.399948 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -4.177 flat angles P-C4'-P energy: -4.643 tors. eta vs tors. theta energy: -4.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -40.441531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.441531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.441531 (E_RNA) where: Base-Base interactions energy: -17.806 where: short stacking energy: -17.806 Base-Backbone interact. energy: -0.000 local terms energy: -22.635234 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.291 flat angles P-C4'-P energy: -2.596 tors. eta vs tors. theta energy: -3.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -31.094431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.094431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.094431 (E_RNA) where: Base-Base interactions energy: -10.946 where: short stacking energy: -10.946 Base-Backbone interact. energy: -0.000 local terms energy: -20.147749 where: bonds (distance) C4'-P energy: -3.034 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -4.334 flat angles P-C4'-P energy: -4.659 tors. eta vs tors. theta energy: -0.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -43.096054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.096054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.096054 (E_RNA) where: Base-Base interactions energy: -18.054 where: short stacking energy: -18.054 Base-Backbone interact. energy: -0.000 local terms energy: -25.042272 where: bonds (distance) C4'-P energy: -5.303 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -6.165 flat angles P-C4'-P energy: -4.676 tors. eta vs tors. theta energy: -2.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -49.220220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.220220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.220220 (E_RNA) where: Base-Base interactions energy: -27.642 where: short stacking energy: -19.391 Base-Backbone interact. energy: -0.000 local terms energy: -21.577908 where: bonds (distance) C4'-P energy: -4.168 bonds (distance) P-C4' energy: -6.914 flat angles C4'-P-C4' energy: -3.817 flat angles P-C4'-P energy: -3.770 tors. eta vs tors. theta energy: -2.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -46.316231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.316231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.316231 (E_RNA) where: Base-Base interactions energy: -23.460 where: short stacking energy: -23.460 Base-Backbone interact. energy: -0.000 local terms energy: -22.855919 where: bonds (distance) C4'-P energy: -4.582 bonds (distance) P-C4' energy: -4.850 flat angles C4'-P-C4' energy: -5.323 flat angles P-C4'-P energy: -2.430 tors. eta vs tors. theta energy: -5.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -43.654928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.654928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.654928 (E_RNA) where: Base-Base interactions energy: -19.428 where: short stacking energy: -12.804 Base-Backbone interact. energy: -0.331 local terms energy: -23.895887 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -5.761 flat angles P-C4'-P energy: -4.820 tors. eta vs tors. theta energy: -1.625 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: 6 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -40.411277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.411277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.411277 (E_RNA) where: Base-Base interactions energy: -14.772 where: short stacking energy: -14.772 Base-Backbone interact. energy: -0.000 local terms energy: -25.638975 where: bonds (distance) C4'-P energy: -3.928 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -6.612 flat angles P-C4'-P energy: -3.073 tors. eta vs tors. theta energy: -6.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -37.181182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.181182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.181182 (E_RNA) where: Base-Base interactions energy: -14.845 where: short stacking energy: -10.051 Base-Backbone interact. energy: -0.018 local terms energy: -22.318351 where: bonds (distance) C4'-P energy: -4.454 bonds (distance) P-C4' energy: -5.441 flat angles C4'-P-C4' energy: -5.173 flat angles P-C4'-P energy: -4.981 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: 7, replica: 7 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -35.644838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.644838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.644838 (E_RNA) where: Base-Base interactions energy: -13.860 where: short stacking energy: -13.860 Base-Backbone interact. energy: -0.000 local terms energy: -21.784506 where: bonds (distance) C4'-P energy: -4.027 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.779 flat angles P-C4'-P energy: -4.483 tors. eta vs tors. theta energy: -2.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -36.032172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.032172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.032172 (E_RNA) where: Base-Base interactions energy: -14.130 where: short stacking energy: -14.130 Base-Backbone interact. energy: -0.094 local terms energy: -21.807979 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -5.576 flat angles C4'-P-C4' energy: -6.471 flat angles P-C4'-P energy: -4.085 tors. eta vs tors. theta energy: -0.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -31.587694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.587694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.587694 (E_RNA) where: Base-Base interactions energy: -11.009 where: short stacking energy: -11.009 Base-Backbone interact. energy: -0.060 local terms energy: -20.517756 where: bonds (distance) C4'-P energy: -5.527 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -4.813 flat angles P-C4'-P energy: -3.588 tors. eta vs tors. theta energy: -1.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -35.205598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.205598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.205598 (E_RNA) where: Base-Base interactions energy: -15.033 where: short stacking energy: -15.033 Base-Backbone interact. energy: -1.624 local terms energy: -18.549271 where: bonds (distance) C4'-P energy: -4.533 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.869 flat angles P-C4'-P energy: -1.506 tors. eta vs tors. theta energy: -1.654 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: 1, replica: 3 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -55.367023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.367023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.367023 (E_RNA) where: Base-Base interactions energy: -25.261 where: short stacking energy: -25.261 Base-Backbone interact. energy: -0.000 local terms energy: -30.106130 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -5.774 flat angles P-C4'-P energy: -4.182 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: 2, replica: 10 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -50.760701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.760701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.760701 (E_RNA) where: Base-Base interactions energy: -24.550 where: short stacking energy: -24.550 Base-Backbone interact. energy: -0.000 local terms energy: -26.210752 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.506 flat angles C4'-P-C4' energy: -4.581 flat angles P-C4'-P energy: -4.527 tors. eta vs tors. theta energy: -5.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -43.993258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.993258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.993258 (E_RNA) where: Base-Base interactions energy: -17.901 where: short stacking energy: -17.901 Base-Backbone interact. energy: -0.061 local terms energy: -26.031734 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -6.116 flat angles P-C4'-P energy: -4.475 tors. eta vs tors. theta energy: -3.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -43.207023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.207023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.207023 (E_RNA) where: Base-Base interactions energy: -18.736 where: short stacking energy: -18.736 Base-Backbone interact. energy: -0.000 local terms energy: -24.470304 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.398 flat angles C4'-P-C4' energy: -3.940 flat angles P-C4'-P energy: -3.401 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: 5, replica: 9 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -44.828816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.828816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.828816 (E_RNA) where: Base-Base interactions energy: -21.279 where: short stacking energy: -21.189 Base-Backbone interact. energy: -0.189 local terms energy: -23.360839 where: bonds (distance) C4'-P energy: -4.516 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.039 flat angles P-C4'-P energy: -2.758 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: 6, replica: 6 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -42.537718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.537718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.537718 (E_RNA) where: Base-Base interactions energy: -16.987 where: short stacking energy: -16.987 Base-Backbone interact. energy: -0.026 local terms energy: -25.524696 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -3.771 flat angles P-C4'-P energy: -4.495 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: 7, replica: 5 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -32.519866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.519866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.519866 (E_RNA) where: Base-Base interactions energy: -11.966 where: short stacking energy: -11.966 Base-Backbone interact. energy: -0.000 local terms energy: -20.553522 where: bonds (distance) C4'-P energy: -4.260 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -5.615 flat angles P-C4'-P energy: -3.158 tors. eta vs tors. theta energy: -2.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -34.248864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.248864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.248864 (E_RNA) where: Base-Base interactions energy: -10.992 where: short stacking energy: -10.992 Base-Backbone interact. energy: -0.002 local terms energy: -23.254898 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.226 flat angles P-C4'-P energy: -3.596 tors. eta vs tors. theta energy: -1.364 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: 2 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -34.825032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.825032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.825032 (E_RNA) where: Base-Base interactions energy: -11.911 where: short stacking energy: -11.911 Base-Backbone interact. energy: -0.001 local terms energy: -22.913411 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -3.747 flat angles P-C4'-P energy: -3.673 tors. eta vs tors. theta energy: -3.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -29.919962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.919962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.919962 (E_RNA) where: Base-Base interactions energy: -9.884 where: short stacking energy: -9.884 Base-Backbone interact. energy: -0.050 local terms energy: -19.985963 where: bonds (distance) C4'-P energy: -4.859 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -3.753 flat angles P-C4'-P energy: -2.753 tors. eta vs tors. theta energy: -1.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -47.172339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.172339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.172339 (E_RNA) where: Base-Base interactions energy: -20.541 where: short stacking energy: -20.541 Base-Backbone interact. energy: -0.000 local terms energy: -26.631771 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.491 flat angles P-C4'-P energy: -3.358 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: 2, replica: 1 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -44.136915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.136915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.136915 (E_RNA) where: Base-Base interactions energy: -20.270 where: short stacking energy: -20.270 Base-Backbone interact. energy: -0.000 local terms energy: -23.866443 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -4.857 flat angles P-C4'-P energy: -3.683 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: 3, replica: 10 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -40.232283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.232283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.232283 (E_RNA) where: Base-Base interactions energy: -18.985 where: short stacking energy: -18.985 Base-Backbone interact. energy: -0.002 local terms energy: -21.245298 where: bonds (distance) C4'-P energy: -3.912 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.510 flat angles P-C4'-P energy: -4.412 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: 4, replica: 9 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -44.851248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.851248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.851248 (E_RNA) where: Base-Base interactions energy: -23.173 where: short stacking energy: -23.173 Base-Backbone interact. energy: -0.005 local terms energy: -21.673061 where: bonds (distance) C4'-P energy: -3.328 bonds (distance) P-C4' energy: -5.635 flat angles C4'-P-C4' energy: -5.742 flat angles P-C4'-P energy: -3.063 tors. eta vs tors. theta energy: -3.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -42.216235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.216235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.216235 (E_RNA) where: Base-Base interactions energy: -17.750 where: short stacking energy: -17.750 Base-Backbone interact. energy: 0.126 local terms energy: -24.592578 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -4.604 flat angles C4'-P-C4' energy: -5.631 flat angles P-C4'-P energy: -4.104 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: 6, replica: 5 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -39.507432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.507432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.507432 (E_RNA) where: Base-Base interactions energy: -15.440 where: short stacking energy: -14.969 Base-Backbone interact. energy: -0.000 local terms energy: -24.067440 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -3.475 flat angles P-C4'-P energy: -2.941 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: 7, replica: 6 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -36.200083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.200083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.200083 (E_RNA) where: Base-Base interactions energy: -13.272 where: short stacking energy: -13.272 Base-Backbone interact. energy: -0.000 local terms energy: -22.928398 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -5.171 flat angles P-C4'-P energy: -3.236 tors. eta vs tors. theta energy: -3.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -32.370197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.370197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.370197 (E_RNA) where: Base-Base interactions energy: -9.907 where: short stacking energy: -9.907 Base-Backbone interact. energy: -0.057 local terms energy: -22.405656 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.300 flat angles P-C4'-P energy: -3.791 tors. eta vs tors. theta energy: -0.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -34.591076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.591076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.591076 (E_RNA) where: Base-Base interactions energy: -15.823 where: short stacking energy: -15.823 Base-Backbone interact. energy: -0.000 local terms energy: -18.767615 where: bonds (distance) C4'-P energy: -3.654 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -4.483 flat angles P-C4'-P energy: -0.905 tors. eta vs tors. theta energy: -3.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -34.548255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.548255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.548255 (E_RNA) where: Base-Base interactions energy: -12.222 where: short stacking energy: -12.222 Base-Backbone interact. energy: -0.012 local terms energy: -22.314969 where: bonds (distance) C4'-P energy: -4.318 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.585 flat angles P-C4'-P energy: -3.941 tors. eta vs tors. theta energy: -2.062 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: 1 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -44.155405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.155405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.155405 (E_RNA) where: Base-Base interactions energy: -19.232 where: short stacking energy: -17.232 Base-Backbone interact. energy: -0.005 local terms energy: -24.918414 where: bonds (distance) C4'-P energy: -2.777 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -5.863 flat angles P-C4'-P energy: -4.008 tors. eta vs tors. theta energy: -5.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -43.778131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.778131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.778131 (E_RNA) where: Base-Base interactions energy: -16.513 where: short stacking energy: -16.513 Base-Backbone interact. energy: -0.002 local terms energy: -27.263107 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -6.427 flat angles P-C4'-P energy: -4.823 tors. eta vs tors. theta energy: -4.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -43.121145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.121145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.121145 (E_RNA) where: Base-Base interactions energy: -18.122 where: short stacking energy: -18.122 Base-Backbone interact. energy: -0.000 local terms energy: -24.999413 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.802 flat angles P-C4'-P energy: -3.477 tors. eta vs tors. theta energy: -4.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -42.781298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.781298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.781298 (E_RNA) where: Base-Base interactions energy: -17.323 where: short stacking energy: -17.323 Base-Backbone interact. energy: -0.004 local terms energy: -25.453898 where: bonds (distance) C4'-P energy: -3.786 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -4.941 flat angles P-C4'-P energy: -4.821 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: 5, replica: 5 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -39.769864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.769864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.769864 (E_RNA) where: Base-Base interactions energy: -17.971 where: short stacking energy: -17.971 Base-Backbone interact. energy: -0.000 local terms energy: -21.798597 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -4.990 flat angles P-C4'-P energy: -3.554 tors. eta vs tors. theta energy: -1.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -43.333281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.333281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.333281 (E_RNA) where: Base-Base interactions energy: -17.791 where: short stacking energy: -17.327 Base-Backbone interact. energy: -0.099 local terms energy: -25.443310 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -5.674 flat angles P-C4'-P energy: -4.358 tors. eta vs tors. theta energy: -5.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -38.226712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.226712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.226712 (E_RNA) where: Base-Base interactions energy: -18.137 where: short stacking energy: -18.137 Base-Backbone interact. energy: -0.000 local terms energy: -20.088990 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -4.386 flat angles C4'-P-C4' energy: -4.454 flat angles P-C4'-P energy: -1.438 tors. eta vs tors. theta energy: -3.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -38.802705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.802705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.802705 (E_RNA) where: Base-Base interactions energy: -16.122 where: short stacking energy: -16.122 Base-Backbone interact. energy: -0.000 local terms energy: -22.681091 where: bonds (distance) C4'-P energy: -3.245 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.831 flat angles P-C4'-P energy: -4.054 tors. eta vs tors. theta energy: -3.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -32.094635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.094635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.094635 (E_RNA) where: Base-Base interactions energy: -16.652 where: short stacking energy: -11.385 Base-Backbone interact. energy: -0.001 local terms energy: -15.442298 where: bonds (distance) C4'-P energy: -3.804 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -3.248 flat angles P-C4'-P energy: -0.861 tors. eta vs tors. theta energy: -0.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -30.529162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.529162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.529162 (E_RNA) where: Base-Base interactions energy: -7.568 where: short stacking energy: -7.568 Base-Backbone interact. energy: 0.572 local terms energy: -23.533307 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -5.868 flat angles C4'-P-C4' energy: -3.223 flat angles P-C4'-P energy: -5.610 tors. eta vs tors. theta energy: -2.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -54.244711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.244711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.244711 (E_RNA) where: Base-Base interactions energy: -24.943 where: short stacking energy: -24.943 Base-Backbone interact. energy: -0.000 local terms energy: -29.301346 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.959 flat angles P-C4'-P energy: -2.673 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: 2, replica: 3 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -51.242769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.242769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.242769 (E_RNA) where: Base-Base interactions energy: -22.002 where: short stacking energy: -22.002 Base-Backbone interact. energy: -0.000 local terms energy: -29.240561 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.995 flat angles P-C4'-P energy: -2.959 tors. eta vs tors. theta energy: -7.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -36.646278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.646278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.646278 (E_RNA) where: Base-Base interactions energy: -15.714 where: short stacking energy: -15.714 Base-Backbone interact. energy: -0.058 local terms energy: -20.874007 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.535 flat angles P-C4'-P energy: -1.792 tors. eta vs tors. theta energy: -3.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -44.356191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.356191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.356191 (E_RNA) where: Base-Base interactions energy: -23.846 where: short stacking energy: -17.045 Base-Backbone interact. energy: -0.079 local terms energy: -20.430540 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -3.478 flat angles C4'-P-C4' energy: -4.494 flat angles P-C4'-P energy: -4.626 tors. eta vs tors. theta energy: -2.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -44.941863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.941863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.941863 (E_RNA) where: Base-Base interactions energy: -18.466 where: short stacking energy: -18.466 Base-Backbone interact. energy: -0.000 local terms energy: -26.475868 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.507 flat angles P-C4'-P energy: -3.652 tors. eta vs tors. theta energy: -5.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -40.563785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.563785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.563785 (E_RNA) where: Base-Base interactions energy: -15.361 where: short stacking energy: -15.361 Base-Backbone interact. energy: -0.075 local terms energy: -25.128116 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.850 flat angles P-C4'-P energy: -4.565 tors. eta vs tors. theta energy: -3.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -33.453097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.453097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.453097 (E_RNA) where: Base-Base interactions energy: -11.648 where: short stacking energy: -11.648 Base-Backbone interact. energy: -0.001 local terms energy: -21.804764 where: bonds (distance) C4'-P energy: -3.982 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.141 flat angles P-C4'-P energy: -4.299 tors. eta vs tors. theta energy: -2.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -36.789310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.789310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.789310 (E_RNA) where: Base-Base interactions energy: -16.325 where: short stacking energy: -16.325 Base-Backbone interact. energy: -0.001 local terms energy: -20.463221 where: bonds (distance) C4'-P energy: -2.339 bonds (distance) P-C4' energy: -5.071 flat angles C4'-P-C4' energy: -3.631 flat angles P-C4'-P energy: -4.152 tors. eta vs tors. theta energy: -5.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -31.898651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.898651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.898651 (E_RNA) where: Base-Base interactions energy: -12.641 where: short stacking energy: -12.641 Base-Backbone interact. energy: -0.014 local terms energy: -19.243724 where: bonds (distance) C4'-P energy: -5.257 bonds (distance) P-C4' energy: -5.345 flat angles C4'-P-C4' energy: -4.233 flat angles P-C4'-P energy: -4.336 tors. eta vs tors. theta energy: -0.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -30.687277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.687277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.687277 (E_RNA) where: Base-Base interactions energy: -19.055 where: short stacking energy: -19.055 Base-Backbone interact. energy: -0.003 local terms energy: -11.629693 where: bonds (distance) C4'-P energy: 0.216 bonds (distance) P-C4' energy: -2.793 flat angles C4'-P-C4' energy: -3.046 flat angles P-C4'-P energy: -2.835 tors. eta vs tors. theta energy: -3.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -53.550329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.550329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.550329 (E_RNA) where: Base-Base interactions energy: -26.965 where: short stacking energy: -26.965 Base-Backbone interact. energy: -0.000 local terms energy: -26.585420 where: bonds (distance) C4'-P energy: -4.797 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.957 flat angles P-C4'-P energy: -3.660 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: 2, replica: 1 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -48.730103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.730103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.730103 (E_RNA) where: Base-Base interactions energy: -20.424 where: short stacking energy: -20.424 Base-Backbone interact. energy: -0.000 local terms energy: -28.306090 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.203 flat angles P-C4'-P energy: -4.337 tors. eta vs tors. theta energy: -5.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -45.623058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.623058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.623058 (E_RNA) where: Base-Base interactions energy: -22.202 where: short stacking energy: -22.202 Base-Backbone interact. energy: -0.003 local terms energy: -23.418720 where: bonds (distance) C4'-P energy: -4.913 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -3.779 flat angles P-C4'-P energy: -4.253 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: 4, replica: 10 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -42.618250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.618250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.618250 (E_RNA) where: Base-Base interactions energy: -17.765 where: short stacking energy: -17.765 Base-Backbone interact. energy: -0.001 local terms energy: -24.852539 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.059 flat angles P-C4'-P energy: -2.288 tors. eta vs tors. theta energy: -4.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -40.624268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.624268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.624268 (E_RNA) where: Base-Base interactions energy: -18.008 where: short stacking energy: -18.008 Base-Backbone interact. energy: -0.000 local terms energy: -22.616494 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -5.165 flat angles P-C4'-P energy: -1.975 tors. eta vs tors. theta energy: -4.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -39.859010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.859010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.859010 (E_RNA) where: Base-Base interactions energy: -17.499 where: short stacking energy: -9.916 Base-Backbone interact. energy: -0.680 local terms energy: -21.680422 where: bonds (distance) C4'-P energy: -5.845 bonds (distance) P-C4' energy: -5.861 flat angles C4'-P-C4' energy: -3.795 flat angles P-C4'-P energy: -3.604 tors. eta vs tors. theta energy: -2.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -39.731812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.731812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.731812 (E_RNA) where: Base-Base interactions energy: -15.433 where: short stacking energy: -15.433 Base-Backbone interact. energy: -0.005 local terms energy: -24.293720 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.309 flat angles P-C4'-P energy: -3.223 tors. eta vs tors. theta energy: -2.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -37.575170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.575170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.575170 (E_RNA) where: Base-Base interactions energy: -17.111 where: short stacking energy: -17.111 Base-Backbone interact. energy: -0.000 local terms energy: -20.463847 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -5.389 flat angles P-C4'-P energy: -0.296 tors. eta vs tors. theta energy: -3.420 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: 9, replica: 7 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -32.680845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.680845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.680845 (E_RNA) where: Base-Base interactions energy: -14.070 where: short stacking energy: -14.070 Base-Backbone interact. energy: -0.020 local terms energy: -18.590638 where: bonds (distance) C4'-P energy: -5.117 bonds (distance) P-C4' energy: -2.135 flat angles C4'-P-C4' energy: -5.707 flat angles P-C4'-P energy: -4.100 tors. eta vs tors. theta energy: -1.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -35.232141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.232141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.232141 (E_RNA) where: Base-Base interactions energy: -12.658 where: short stacking energy: -12.658 Base-Backbone interact. energy: -0.000 local terms energy: -22.574563 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -4.816 flat angles P-C4'-P energy: -3.582 tors. eta vs tors. theta energy: -3.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -47.304414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.304414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.304414 (E_RNA) where: Base-Base interactions energy: -21.555 where: short stacking energy: -21.555 Base-Backbone interact. energy: -0.003 local terms energy: -25.746435 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -5.277 flat angles P-C4'-P energy: -4.103 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: 2, replica: 5 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -51.849840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.849840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.849840 (E_RNA) where: Base-Base interactions energy: -21.792 where: short stacking energy: -21.792 Base-Backbone interact. energy: -0.000 local terms energy: -30.057382 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.731 flat angles P-C4'-P energy: -4.644 tors. eta vs tors. theta energy: -6.672 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: 3, replica: 1 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -42.246960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.246960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.246960 (E_RNA) where: Base-Base interactions energy: -18.498 where: short stacking energy: -18.498 Base-Backbone interact. energy: -0.000 local terms energy: -23.748684 where: bonds (distance) C4'-P energy: -4.872 bonds (distance) P-C4' energy: -4.150 flat angles C4'-P-C4' energy: -4.422 flat angles P-C4'-P energy: -4.779 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: 4, replica: 2 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -44.111162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.111162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.111162 (E_RNA) where: Base-Base interactions energy: -19.740 where: short stacking energy: -19.740 Base-Backbone interact. energy: -0.000 local terms energy: -24.371246 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -4.533 flat angles C4'-P-C4' energy: -4.683 flat angles P-C4'-P energy: -4.880 tors. eta vs tors. theta energy: -4.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -38.058463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.058463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.058463 (E_RNA) where: Base-Base interactions energy: -15.270 where: short stacking energy: -15.270 Base-Backbone interact. energy: -0.000 local terms energy: -22.788206 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.892 flat angles C4'-P-C4' energy: -5.024 flat angles P-C4'-P energy: -1.964 tors. eta vs tors. theta energy: -4.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -42.252642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.252642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.252642 (E_RNA) where: Base-Base interactions energy: -20.756 where: short stacking energy: -9.426 Base-Backbone interact. energy: -0.108 local terms energy: -21.388473 where: bonds (distance) C4'-P energy: -4.735 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.923 flat angles P-C4'-P energy: -4.820 tors. eta vs tors. theta energy: 0.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -36.167533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.167533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.167533 (E_RNA) where: Base-Base interactions energy: -14.241 where: short stacking energy: -14.241 Base-Backbone interact. energy: -0.000 local terms energy: -21.926475 where: bonds (distance) C4'-P energy: -4.748 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -4.153 flat angles P-C4'-P energy: -3.602 tors. eta vs tors. theta energy: -3.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -35.099979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.099979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.099979 (E_RNA) where: Base-Base interactions energy: -17.313 where: short stacking energy: -17.313 Base-Backbone interact. energy: -0.000 local terms energy: -17.787371 where: bonds (distance) C4'-P energy: -2.301 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -6.237 flat angles P-C4'-P energy: -3.082 tors. eta vs tors. theta energy: -1.737 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: 81 Temperature: 1.300000 Total energy: -40.696824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.696824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.696824 (E_RNA) where: Base-Base interactions energy: -19.175 where: short stacking energy: -19.175 Base-Backbone interact. energy: -0.000 local terms energy: -21.521527 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -4.032 flat angles C4'-P-C4' energy: -5.143 flat angles P-C4'-P energy: -3.525 tors. eta vs tors. theta energy: -3.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -33.005672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.005672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.005672 (E_RNA) where: Base-Base interactions energy: -13.241 where: short stacking energy: -13.241 Base-Backbone interact. energy: -0.002 local terms energy: -19.762874 where: bonds (distance) C4'-P energy: -3.779 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -3.074 flat angles P-C4'-P energy: -3.579 tors. eta vs tors. theta energy: -3.796 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: 5 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -41.459364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.459364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.459364 (E_RNA) where: Base-Base interactions energy: -18.084 where: short stacking energy: -13.525 Base-Backbone interact. energy: -0.012 local terms energy: -23.362985 where: bonds (distance) C4'-P energy: -4.665 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -5.976 flat angles P-C4'-P energy: -5.249 tors. eta vs tors. theta energy: -1.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -40.466688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.466688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.466688 (E_RNA) where: Base-Base interactions energy: -15.288 where: short stacking energy: -15.288 Base-Backbone interact. energy: 1.003 local terms energy: -26.181054 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -5.436 flat angles P-C4'-P energy: -4.402 tors. eta vs tors. theta energy: -3.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -46.767469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.767469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.767469 (E_RNA) where: Base-Base interactions energy: -20.127 where: short stacking energy: -20.127 Base-Backbone interact. energy: -0.000 local terms energy: -26.640387 where: bonds (distance) C4'-P energy: -4.206 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -6.446 flat angles P-C4'-P energy: -3.061 tors. eta vs tors. theta energy: -6.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -42.426653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.426653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.426653 (E_RNA) where: Base-Base interactions energy: -17.698 where: short stacking energy: -17.698 Base-Backbone interact. energy: -0.003 local terms energy: -24.725541 where: bonds (distance) C4'-P energy: -4.434 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -6.661 flat angles P-C4'-P energy: -4.404 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: 5, replica: 8 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -46.219060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.219060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.219060 (E_RNA) where: Base-Base interactions energy: -20.813 where: short stacking energy: -20.813 Base-Backbone interact. energy: -0.000 local terms energy: -25.406268 where: bonds (distance) C4'-P energy: -3.920 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.053 flat angles P-C4'-P energy: -1.351 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: 6, replica: 10 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -38.434361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.434361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.434361 (E_RNA) where: Base-Base interactions energy: -15.104 where: short stacking energy: -14.867 Base-Backbone interact. energy: -0.000 local terms energy: -23.330035 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -3.230 flat angles P-C4'-P energy: -4.091 tors. eta vs tors. theta energy: -3.642 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: 7 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -36.539327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.539327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.539327 (E_RNA) where: Base-Base interactions energy: -11.826 where: short stacking energy: -11.826 Base-Backbone interact. energy: -0.000 local terms energy: -24.712863 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -6.914 flat angles C4'-P-C4' energy: -4.921 flat angles P-C4'-P energy: -5.253 tors. eta vs tors. theta energy: -2.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -33.490932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.490932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.490932 (E_RNA) where: Base-Base interactions energy: -14.775 where: short stacking energy: -9.267 Base-Backbone interact. energy: -0.013 local terms energy: -18.702802 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -4.450 flat angles P-C4'-P energy: -3.160 tors. eta vs tors. theta energy: -0.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -32.336782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.336782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.336782 (E_RNA) where: Base-Base interactions energy: -13.275 where: short stacking energy: -13.275 Base-Backbone interact. energy: -0.005 local terms energy: -19.057248 where: bonds (distance) C4'-P energy: -3.713 bonds (distance) P-C4' energy: -4.530 flat angles C4'-P-C4' energy: -5.063 flat angles P-C4'-P energy: -2.423 tors. eta vs tors. theta energy: -3.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -30.464979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.464979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.464979 (E_RNA) where: Base-Base interactions energy: -8.729 where: short stacking energy: -8.729 Base-Backbone interact. energy: -0.006 local terms energy: -21.730422 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.151 flat angles P-C4'-P energy: -4.961 tors. eta vs tors. theta energy: 0.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -57.135004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.135004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.135004 (E_RNA) where: Base-Base interactions energy: -26.516 where: short stacking energy: -26.516 Base-Backbone interact. energy: -0.000 local terms energy: -30.619336 where: bonds (distance) C4'-P energy: -4.570 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.233 flat angles P-C4'-P energy: -5.286 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: 2, replica: 2 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -48.874606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.874606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.874606 (E_RNA) where: Base-Base interactions energy: -20.608 where: short stacking energy: -20.608 Base-Backbone interact. energy: -0.000 local terms energy: -28.266315 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.093 flat angles P-C4'-P energy: -5.487 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: 3, replica: 3 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -42.368007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.368007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.368007 (E_RNA) where: Base-Base interactions energy: -23.123 where: short stacking energy: -7.117 Base-Backbone interact. energy: -0.516 local terms energy: -18.729725 where: bonds (distance) C4'-P energy: -2.848 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.129 flat angles P-C4'-P energy: -4.058 tors. eta vs tors. theta energy: -0.285 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: 1 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -33.221215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.221215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.221215 (E_RNA) where: Base-Base interactions energy: -14.379 where: short stacking energy: -11.031 Base-Backbone interact. energy: -0.399 local terms energy: -18.443077 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -5.370 flat angles C4'-P-C4' energy: -4.581 flat angles P-C4'-P energy: -2.070 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: 5, replica: 8 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -38.567774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.567774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.567774 (E_RNA) where: Base-Base interactions energy: -19.808 where: short stacking energy: -16.265 Base-Backbone interact. energy: -0.477 local terms energy: -18.283457 where: bonds (distance) C4'-P energy: -4.515 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -3.965 flat angles P-C4'-P energy: -1.145 tors. eta vs tors. theta energy: -2.438 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: 7 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -39.168789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.168789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.168789 (E_RNA) where: Base-Base interactions energy: -13.293 where: short stacking energy: -13.293 Base-Backbone interact. energy: -0.007 local terms energy: -25.868387 where: bonds (distance) C4'-P energy: -4.922 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.415 flat angles P-C4'-P energy: -4.630 tors. eta vs tors. theta energy: -2.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -31.622017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.622017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.622017 (E_RNA) where: Base-Base interactions energy: -11.551 where: short stacking energy: -11.551 Base-Backbone interact. energy: -0.000 local terms energy: -20.071011 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.487 flat angles P-C4'-P energy: -3.426 tors. eta vs tors. theta energy: 0.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -35.802399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.802399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.802399 (E_RNA) where: Base-Base interactions energy: -13.124 where: short stacking energy: -10.464 Base-Backbone interact. energy: -0.001 local terms energy: -22.677207 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -4.139 flat angles P-C4'-P energy: -4.316 tors. eta vs tors. theta energy: -2.329 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: 9 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -36.181122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.181122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.181122 (E_RNA) where: Base-Base interactions energy: -14.827 where: short stacking energy: -14.827 Base-Backbone interact. energy: -0.000 local terms energy: -21.354055 where: bonds (distance) C4'-P energy: -4.454 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -3.995 flat angles P-C4'-P energy: -2.178 tors. eta vs tors. theta energy: -3.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -34.070682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.070682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.070682 (E_RNA) where: Base-Base interactions energy: -9.929 where: short stacking energy: -9.929 Base-Backbone interact. energy: -0.028 local terms energy: -24.113852 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.355 flat angles C4'-P-C4' energy: -5.893 flat angles P-C4'-P energy: -5.105 tors. eta vs tors. theta energy: -0.709 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: 1, replica: 2 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -49.337316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.337316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.337316 (E_RNA) where: Base-Base interactions energy: -21.999 where: short stacking energy: -21.999 Base-Backbone interact. energy: -0.000 local terms energy: -27.337964 where: bonds (distance) C4'-P energy: -5.393 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.075 flat angles P-C4'-P energy: -3.000 tors. eta vs tors. theta energy: -5.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -52.558730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.558730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.558730 (E_RNA) where: Base-Base interactions energy: -24.794 where: short stacking energy: -24.794 Base-Backbone interact. energy: -0.000 local terms energy: -27.764309 where: bonds (distance) C4'-P energy: -3.175 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.956 flat angles P-C4'-P energy: -4.524 tors. eta vs tors. theta energy: -7.435 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: 1 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -37.375277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.375277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.375277 (E_RNA) where: Base-Base interactions energy: -15.650 where: short stacking energy: -12.602 Base-Backbone interact. energy: -1.629 local terms energy: -20.096816 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -5.078 flat angles C4'-P-C4' energy: -4.905 flat angles P-C4'-P energy: -2.944 tors. eta vs tors. theta energy: -1.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -45.590404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.590404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.590404 (E_RNA) where: Base-Base interactions energy: -20.179 where: short stacking energy: -20.179 Base-Backbone interact. energy: -0.000 local terms energy: -25.411394 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -4.821 flat angles C4'-P-C4' energy: -5.805 flat angles P-C4'-P energy: -3.222 tors. eta vs tors. theta energy: -5.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -45.661124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.661124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.661124 (E_RNA) where: Base-Base interactions energy: -22.386 where: short stacking energy: -19.099 Base-Backbone interact. energy: -0.013 local terms energy: -23.262066 where: bonds (distance) C4'-P energy: -5.295 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.634 flat angles P-C4'-P energy: -3.776 tors. eta vs tors. theta energy: -3.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -44.218653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.218653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.218653 (E_RNA) where: Base-Base interactions energy: -16.872 where: short stacking energy: -16.872 Base-Backbone interact. energy: -0.000 local terms energy: -27.347006 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -5.628 flat angles C4'-P-C4' energy: -5.533 flat angles P-C4'-P energy: -3.838 tors. eta vs tors. theta energy: -7.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -38.175117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.175117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.175117 (E_RNA) where: Base-Base interactions energy: -17.398 where: short stacking energy: -14.307 Base-Backbone interact. energy: -0.000 local terms energy: -20.776745 where: bonds (distance) C4'-P energy: -1.725 bonds (distance) P-C4' energy: -3.096 flat angles C4'-P-C4' energy: -5.801 flat angles P-C4'-P energy: -4.984 tors. eta vs tors. theta energy: -5.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -37.059856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.059856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.059856 (E_RNA) where: Base-Base interactions energy: -17.299 where: short stacking energy: -17.299 Base-Backbone interact. energy: -0.000 local terms energy: -19.760705 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -4.963 flat angles P-C4'-P energy: -0.884 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: 9, replica: 4 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -31.521094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.521094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.521094 (E_RNA) where: Base-Base interactions energy: -12.831 where: short stacking energy: -7.879 Base-Backbone interact. energy: -0.100 local terms energy: -18.589797 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.742 flat angles P-C4'-P energy: -2.826 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: 10, replica: 9 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -34.952919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.952919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.952919 (E_RNA) where: Base-Base interactions energy: -13.207 where: short stacking energy: -13.207 Base-Backbone interact. energy: 0.726 local terms energy: -22.471718 where: bonds (distance) C4'-P energy: -2.156 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -6.149 flat angles P-C4'-P energy: -4.744 tors. eta vs tors. theta energy: -3.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -49.687860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.687860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.687860 (E_RNA) where: Base-Base interactions energy: -20.745 where: short stacking energy: -20.745 Base-Backbone interact. energy: -0.000 local terms energy: -28.942822 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.945 flat angles P-C4'-P energy: -3.065 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: 2, replica: 1 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -39.375386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.375386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.375386 (E_RNA) where: Base-Base interactions energy: -19.284 where: short stacking energy: -15.331 Base-Backbone interact. energy: -0.544 local terms energy: -19.547193 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -3.751 flat angles C4'-P-C4' energy: -5.538 flat angles P-C4'-P energy: -5.210 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: 3, replica: 5 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -43.312158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.312158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.312158 (E_RNA) where: Base-Base interactions energy: -23.722 where: short stacking energy: -17.025 Base-Backbone interact. energy: -0.011 local terms energy: -19.579658 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -4.104 flat angles C4'-P-C4' energy: -4.966 flat angles P-C4'-P energy: -1.777 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: 4, replica: 8 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -46.397198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.397198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.397198 (E_RNA) where: Base-Base interactions energy: -20.027 where: short stacking energy: -20.027 Base-Backbone interact. energy: -0.000 local terms energy: -26.370543 where: bonds (distance) C4'-P energy: -4.755 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -5.546 flat angles P-C4'-P energy: -4.287 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: 5, replica: 3 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -41.485564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.485564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.485564 (E_RNA) where: Base-Base interactions energy: -18.408 where: short stacking energy: -13.263 Base-Backbone interact. energy: -0.173 local terms energy: -22.905018 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -5.999 flat angles P-C4'-P energy: -4.700 tors. eta vs tors. theta energy: -0.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -31.225826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.225826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.225826 (E_RNA) where: Base-Base interactions energy: -15.924 where: short stacking energy: -4.725 Base-Backbone interact. energy: -0.076 local terms energy: -15.226730 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -4.411 flat angles C4'-P-C4' energy: -4.083 flat angles P-C4'-P energy: -4.098 tors. eta vs tors. theta energy: 2.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -31.598614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.598614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.598614 (E_RNA) where: Base-Base interactions energy: -11.155 where: short stacking energy: -11.155 Base-Backbone interact. energy: -0.000 local terms energy: -20.443427 where: bonds (distance) C4'-P energy: -3.696 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.513 flat angles P-C4'-P energy: -4.164 tors. eta vs tors. theta energy: -0.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -38.849546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.849546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.849546 (E_RNA) where: Base-Base interactions energy: -15.383 where: short stacking energy: -15.383 Base-Backbone interact. energy: -0.000 local terms energy: -23.466945 where: bonds (distance) C4'-P energy: -4.557 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -3.693 flat angles P-C4'-P energy: -1.731 tors. eta vs tors. theta energy: -6.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -30.527418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.527418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.527418 (E_RNA) where: Base-Base interactions energy: -14.037 where: short stacking energy: -14.037 Base-Backbone interact. energy: -0.006 local terms energy: -16.484259 where: bonds (distance) C4'-P energy: -2.591 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -3.966 flat angles P-C4'-P energy: -1.641 tors. eta vs tors. theta energy: -1.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -32.134155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.134155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.134155 (E_RNA) where: Base-Base interactions energy: -10.876 where: short stacking energy: -10.876 Base-Backbone interact. energy: -0.000 local terms energy: -21.258639 where: bonds (distance) C4'-P energy: -3.353 bonds (distance) P-C4' energy: -5.837 flat angles C4'-P-C4' energy: -5.633 flat angles P-C4'-P energy: -3.283 tors. eta vs tors. theta energy: -3.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -43.109857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.109857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.109857 (E_RNA) where: Base-Base interactions energy: -18.678 where: short stacking energy: -18.678 Base-Backbone interact. energy: -0.042 local terms energy: -24.389204 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -5.674 flat angles P-C4'-P energy: -4.125 tors. eta vs tors. theta energy: -2.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -43.292781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.292781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.292781 (E_RNA) where: Base-Base interactions energy: -17.132 where: short stacking energy: -17.132 Base-Backbone interact. energy: -0.000 local terms energy: -26.160347 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.440 flat angles P-C4'-P energy: -5.085 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: 3, replica: 8 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -45.458045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.458045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.458045 (E_RNA) where: Base-Base interactions energy: -16.573 where: short stacking energy: -16.573 Base-Backbone interact. energy: -0.000 local terms energy: -28.884924 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.723 flat angles P-C4'-P energy: -5.333 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: 4, replica: 5 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -44.703779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.703779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.703779 (E_RNA) where: Base-Base interactions energy: -17.713 where: short stacking energy: -17.713 Base-Backbone interact. energy: -0.018 local terms energy: -26.973302 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.977 flat angles P-C4'-P energy: -5.477 tors. eta vs tors. theta energy: -2.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -38.966069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.966069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.966069 (E_RNA) where: Base-Base interactions energy: -19.399 where: short stacking energy: -14.138 Base-Backbone interact. energy: -0.104 local terms energy: -19.463881 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.856 flat angles P-C4'-P energy: -1.579 tors. eta vs tors. theta energy: -0.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -39.752413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.752413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.752413 (E_RNA) where: Base-Base interactions energy: -17.152 where: short stacking energy: -17.152 Base-Backbone interact. energy: -0.095 local terms energy: -22.504779 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -2.626 flat angles P-C4'-P energy: -4.510 tors. eta vs tors. theta energy: -3.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -38.302118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.302118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.302118 (E_RNA) where: Base-Base interactions energy: -15.969 where: short stacking energy: -15.969 Base-Backbone interact. energy: -0.000 local terms energy: -22.333270 where: bonds (distance) C4'-P energy: -4.755 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -4.791 flat angles P-C4'-P energy: -4.436 tors. eta vs tors. theta energy: -2.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -31.378107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.378107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.378107 (E_RNA) where: Base-Base interactions energy: -13.471 where: short stacking energy: -13.471 Base-Backbone interact. energy: -0.004 local terms energy: -17.903081 where: bonds (distance) C4'-P energy: -5.306 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.951 flat angles P-C4'-P energy: 0.081 tors. eta vs tors. theta energy: -0.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -40.314728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.314728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.314728 (E_RNA) where: Base-Base interactions energy: -14.987 where: short stacking energy: -14.987 Base-Backbone interact. energy: -0.000 local terms energy: -25.327945 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.449 flat angles P-C4'-P energy: -2.466 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: 10, replica: 10 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -29.887964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.887964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.887964 (E_RNA) where: Base-Base interactions energy: -12.221 where: short stacking energy: -12.221 Base-Backbone interact. energy: -0.030 local terms energy: -17.637438 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -2.969 flat angles C4'-P-C4' energy: -2.514 flat angles P-C4'-P energy: -5.058 tors. eta vs tors. theta energy: -0.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -50.532484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.532484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.532484 (E_RNA) where: Base-Base interactions energy: -23.945 where: short stacking energy: -23.945 Base-Backbone interact. energy: -0.000 local terms energy: -26.587418 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.146 flat angles P-C4'-P energy: -3.100 tors. eta vs tors. theta energy: -5.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -46.357963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.357963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.357963 (E_RNA) where: Base-Base interactions energy: -19.495 where: short stacking energy: -19.495 Base-Backbone interact. energy: -0.000 local terms energy: -26.862625 where: bonds (distance) C4'-P energy: -5.055 bonds (distance) P-C4' energy: -4.110 flat angles C4'-P-C4' energy: -6.245 flat angles P-C4'-P energy: -3.785 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: 3, replica: 1 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -48.310043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.310043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.310043 (E_RNA) where: Base-Base interactions energy: -20.851 where: short stacking energy: -20.851 Base-Backbone interact. energy: -0.000 local terms energy: -27.459240 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -5.604 flat angles C4'-P-C4' energy: -6.102 flat angles P-C4'-P energy: -3.740 tors. eta vs tors. theta energy: -5.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -44.250230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.250230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.250230 (E_RNA) where: Base-Base interactions energy: -17.997 where: short stacking energy: -17.997 Base-Backbone interact. energy: -0.000 local terms energy: -26.253218 where: bonds (distance) C4'-P energy: -4.276 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -6.094 flat angles P-C4'-P energy: -3.621 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: 5, replica: 5 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -37.881070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.881070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.881070 (E_RNA) where: Base-Base interactions energy: -15.219 where: short stacking energy: -15.219 Base-Backbone interact. energy: -0.000 local terms energy: -22.661658 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.999 flat angles P-C4'-P energy: -1.885 tors. eta vs tors. theta energy: -2.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -38.453543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.453543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.453543 (E_RNA) where: Base-Base interactions energy: -16.208 where: short stacking energy: -16.208 Base-Backbone interact. energy: -0.001 local terms energy: -22.244536 where: bonds (distance) C4'-P energy: -4.338 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.103 flat angles P-C4'-P energy: -4.020 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: 7, replica: 3 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -36.615946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.615946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.615946 (E_RNA) where: Base-Base interactions energy: -12.330 where: short stacking energy: -12.330 Base-Backbone interact. energy: -0.006 local terms energy: -24.279749 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.361 flat angles P-C4'-P energy: -4.091 tors. eta vs tors. theta energy: -3.148 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: 9 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -34.709983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.709983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.709983 (E_RNA) where: Base-Base interactions energy: -13.052 where: short stacking energy: -8.964 Base-Backbone interact. energy: -0.066 local terms energy: -21.591403 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -4.187 flat angles C4'-P-C4' energy: -4.013 flat angles P-C4'-P energy: -5.534 tors. eta vs tors. theta energy: -1.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -30.708410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.708410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.708410 (E_RNA) where: Base-Base interactions energy: -12.510 where: short stacking energy: -12.510 Base-Backbone interact. energy: -0.076 local terms energy: -18.122983 where: bonds (distance) C4'-P energy: -5.063 bonds (distance) P-C4' energy: -5.576 flat angles C4'-P-C4' energy: -4.520 flat angles P-C4'-P energy: -2.836 tors. eta vs tors. theta energy: -0.128 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: 87 Temperature: 1.350000 Total energy: -33.277596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.277596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.277596 (E_RNA) where: Base-Base interactions energy: -11.770 where: short stacking energy: -11.770 Base-Backbone interact. energy: -0.000 local terms energy: -21.507372 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -5.512 flat angles C4'-P-C4' energy: -3.068 flat angles P-C4'-P energy: -4.542 tors. eta vs tors. theta energy: -2.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -49.144754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.144754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.144754 (E_RNA) where: Base-Base interactions energy: -22.624 where: short stacking energy: -22.624 Base-Backbone interact. energy: -0.000 local terms energy: -26.520456 where: bonds (distance) C4'-P energy: -4.400 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.731 flat angles P-C4'-P energy: -5.194 tors. eta vs tors. theta energy: -5.003 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: 8 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -51.441101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.441101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.441101 (E_RNA) where: Base-Base interactions energy: -21.745 where: short stacking energy: -21.745 Base-Backbone interact. energy: -0.000 local terms energy: -29.696569 where: bonds (distance) C4'-P energy: -5.845 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.127 flat angles P-C4'-P energy: -3.659 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: 3, replica: 6 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -47.817102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.817102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.817102 (E_RNA) where: Base-Base interactions energy: -23.172 where: short stacking energy: -23.172 Base-Backbone interact. energy: -0.001 local terms energy: -24.644141 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -3.051 flat angles P-C4'-P energy: -3.243 tors. eta vs tors. theta energy: -6.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -39.943722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.943722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.943722 (E_RNA) where: Base-Base interactions energy: -13.913 where: short stacking energy: -13.913 Base-Backbone interact. energy: -0.001 local terms energy: -26.029978 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.918 flat angles P-C4'-P energy: -5.581 tors. eta vs tors. theta energy: -2.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -41.212527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.212527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.212527 (E_RNA) where: Base-Base interactions energy: -16.454 where: short stacking energy: -16.454 Base-Backbone interact. energy: -0.000 local terms energy: -24.758127 where: bonds (distance) C4'-P energy: -3.725 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.291 flat angles P-C4'-P energy: -3.017 tors. eta vs tors. theta energy: -5.820 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: 5 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -37.955491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.955491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.955491 (E_RNA) where: Base-Base interactions energy: -14.131 where: short stacking energy: -10.806 Base-Backbone interact. energy: -0.000 local terms energy: -23.824254 where: bonds (distance) C4'-P energy: -4.221 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -5.201 flat angles P-C4'-P energy: -3.164 tors. eta vs tors. theta energy: -5.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -37.838326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.838326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.838326 (E_RNA) where: Base-Base interactions energy: -16.627 where: short stacking energy: -16.627 Base-Backbone interact. energy: -0.000 local terms energy: -21.211617 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -4.988 flat angles C4'-P-C4' energy: -3.706 flat angles P-C4'-P energy: -4.220 tors. eta vs tors. theta energy: -2.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -40.211308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.211308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.211308 (E_RNA) where: Base-Base interactions energy: -17.161 where: short stacking energy: -17.161 Base-Backbone interact. energy: -0.000 local terms energy: -23.050425 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.668 flat angles C4'-P-C4' energy: -5.212 flat angles P-C4'-P energy: -1.354 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: 10 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -39.801055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.801055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.801055 (E_RNA) where: Base-Base interactions energy: -17.094 where: short stacking energy: -17.094 Base-Backbone interact. energy: -0.002 local terms energy: -22.704774 where: bonds (distance) C4'-P energy: -4.424 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -4.571 flat angles P-C4'-P energy: -4.790 tors. eta vs tors. theta energy: -3.376 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: 7 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -32.106710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.106710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.106710 (E_RNA) where: Base-Base interactions energy: -8.241 where: short stacking energy: -5.387 Base-Backbone interact. energy: -0.223 local terms energy: -23.642674 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.175 flat angles P-C4'-P energy: -3.320 tors. eta vs tors. theta energy: -1.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -54.994635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.994635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.994635 (E_RNA) where: Base-Base interactions energy: -26.682 where: short stacking energy: -26.682 Base-Backbone interact. energy: -0.000 local terms energy: -28.312540 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -6.258 flat angles P-C4'-P energy: -3.182 tors. eta vs tors. theta energy: -6.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -49.058469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.058469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.058469 (E_RNA) where: Base-Base interactions energy: -22.318 where: short stacking energy: -22.318 Base-Backbone interact. energy: -0.000 local terms energy: -26.740072 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -5.971 flat angles P-C4'-P energy: -2.674 tors. eta vs tors. theta energy: -5.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -41.018290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.018290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.018290 (E_RNA) where: Base-Base interactions energy: -17.356 where: short stacking energy: -17.356 Base-Backbone interact. energy: -0.000 local terms energy: -23.662703 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -4.000 flat angles P-C4'-P energy: -3.659 tors. eta vs tors. theta energy: -3.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -43.388083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.388083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.388083 (E_RNA) where: Base-Base interactions energy: -14.309 where: short stacking energy: -14.309 Base-Backbone interact. energy: -0.000 local terms energy: -29.078722 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.866 flat angles P-C4'-P energy: -4.955 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: 5, replica: 1 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -38.629157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.629157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.629157 (E_RNA) where: Base-Base interactions energy: -17.619 where: short stacking energy: -15.773 Base-Backbone interact. energy: -0.723 local terms energy: -20.287184 where: bonds (distance) C4'-P energy: -3.743 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -5.900 flat angles P-C4'-P energy: -3.568 tors. eta vs tors. theta energy: -2.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -37.300784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.300784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.300784 (E_RNA) where: Base-Base interactions energy: -14.731 where: short stacking energy: -15.331 Base-Backbone interact. energy: -1.271 local terms energy: -21.298337 where: bonds (distance) C4'-P energy: -3.887 bonds (distance) P-C4' energy: -5.864 flat angles C4'-P-C4' energy: -4.553 flat angles P-C4'-P energy: -5.381 tors. eta vs tors. theta energy: -1.613 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: 5 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -34.231256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.231256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.231256 (E_RNA) where: Base-Base interactions energy: -13.368 where: short stacking energy: -13.368 Base-Backbone interact. energy: -0.055 local terms energy: -20.807494 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -5.548 flat angles P-C4'-P energy: -3.704 tors. eta vs tors. theta energy: -0.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -30.320588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.320588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.320588 (E_RNA) where: Base-Base interactions energy: -8.141 where: short stacking energy: -8.141 Base-Backbone interact. energy: -0.025 local terms energy: -22.155066 where: bonds (distance) C4'-P energy: -5.042 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.059 flat angles P-C4'-P energy: -5.209 tors. eta vs tors. theta energy: -1.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -36.111818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.111818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.111818 (E_RNA) where: Base-Base interactions energy: -13.616 where: short stacking energy: -13.616 Base-Backbone interact. energy: -0.000 local terms energy: -22.496180 where: bonds (distance) C4'-P energy: -3.244 bonds (distance) P-C4' energy: -4.960 flat angles C4'-P-C4' energy: -5.746 flat angles P-C4'-P energy: -3.011 tors. eta vs tors. theta energy: -5.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -32.455811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.455811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.455811 (E_RNA) where: Base-Base interactions energy: -11.760 where: short stacking energy: -11.760 Base-Backbone interact. energy: -0.001 local terms energy: -20.694924 where: bonds (distance) C4'-P energy: -3.725 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.069 flat angles P-C4'-P energy: -2.720 tors. eta vs tors. theta energy: -1.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -45.585497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.585497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.585497 (E_RNA) where: Base-Base interactions energy: -22.995 where: short stacking energy: -16.382 Base-Backbone interact. energy: -0.000 local terms energy: -22.589896 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -4.268 flat angles P-C4'-P energy: -3.002 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: 2, replica: 2 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -42.781695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.781695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.781695 (E_RNA) where: Base-Base interactions energy: -17.552 where: short stacking energy: -17.552 Base-Backbone interact. energy: -0.002 local terms energy: -25.227391 where: bonds (distance) C4'-P energy: -5.241 bonds (distance) P-C4' energy: -5.606 flat angles C4'-P-C4' energy: -6.070 flat angles P-C4'-P energy: -4.458 tors. eta vs tors. theta energy: -3.851 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: 4 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -45.644591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.644591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.644591 (E_RNA) where: Base-Base interactions energy: -18.083 where: short stacking energy: -18.083 Base-Backbone interact. energy: -0.000 local terms energy: -27.561737 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -6.289 flat angles P-C4'-P energy: -3.774 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: 4, replica: 8 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -46.114936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.114936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.114936 (E_RNA) where: Base-Base interactions energy: -26.874 where: short stacking energy: -13.565 Base-Backbone interact. energy: -0.049 local terms energy: -19.192113 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -5.116 flat angles P-C4'-P energy: -3.196 tors. eta vs tors. theta energy: -0.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -50.198622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.198622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.198622 (E_RNA) where: Base-Base interactions energy: -23.071 where: short stacking energy: -23.071 Base-Backbone interact. energy: -0.000 local terms energy: -27.127901 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -5.111 flat angles P-C4'-P energy: -3.689 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: 6, replica: 9 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -37.011597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.011597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.011597 (E_RNA) where: Base-Base interactions energy: -19.307 where: short stacking energy: -15.126 Base-Backbone interact. energy: -0.122 local terms energy: -17.581880 where: bonds (distance) C4'-P energy: -4.168 bonds (distance) P-C4' energy: -4.460 flat angles C4'-P-C4' energy: -4.582 flat angles P-C4'-P energy: -2.562 tors. eta vs tors. theta energy: -1.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -36.150033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.150033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.150033 (E_RNA) where: Base-Base interactions energy: -17.696 where: short stacking energy: -17.696 Base-Backbone interact. energy: -0.000 local terms energy: -18.454168 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -5.125 flat angles P-C4'-P energy: 0.656 tors. eta vs tors. theta energy: -2.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -36.820748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.820748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.820748 (E_RNA) where: Base-Base interactions energy: -11.152 where: short stacking energy: -11.152 Base-Backbone interact. energy: -0.000 local terms energy: -25.668165 where: bonds (distance) C4'-P energy: -3.973 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.082 flat angles P-C4'-P energy: -4.440 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: 9, replica: 3 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -34.727280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.727280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.727280 (E_RNA) where: Base-Base interactions energy: -12.415 where: short stacking energy: -12.415 Base-Backbone interact. energy: -0.000 local terms energy: -22.312677 where: bonds (distance) C4'-P energy: -5.033 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -4.148 flat angles P-C4'-P energy: -3.718 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: 10, replica: 7 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -30.441870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.441870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.441870 (E_RNA) where: Base-Base interactions energy: -14.155 where: short stacking energy: -14.155 Base-Backbone interact. energy: 0.722 local terms energy: -17.009070 where: bonds (distance) C4'-P energy: 0.763 bonds (distance) P-C4' energy: -5.604 flat angles C4'-P-C4' energy: -5.181 flat angles P-C4'-P energy: -2.258 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: 1, replica: 6 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -48.552628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.552628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.552628 (E_RNA) where: Base-Base interactions energy: -25.087 where: short stacking energy: -11.974 Base-Backbone interact. energy: -0.115 local terms energy: -23.350897 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -6.224 flat angles P-C4'-P energy: -2.862 tors. eta vs tors. theta energy: -2.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -54.203596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.203596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.203596 (E_RNA) where: Base-Base interactions energy: -23.937 where: short stacking energy: -23.937 Base-Backbone interact. energy: -0.000 local terms energy: -30.267065 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -6.589 flat angles P-C4'-P energy: -4.277 tors. eta vs tors. theta energy: -7.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -45.868971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.868971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.868971 (E_RNA) where: Base-Base interactions energy: -21.058 where: short stacking energy: -14.250 Base-Backbone interact. energy: -0.061 local terms energy: -24.749883 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.652 flat angles P-C4'-P energy: -5.131 tors. eta vs tors. theta energy: -1.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -38.101602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.101602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.101602 (E_RNA) where: Base-Base interactions energy: -13.776 where: short stacking energy: -13.776 Base-Backbone interact. energy: -0.002 local terms energy: -24.323696 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -6.147 flat angles P-C4'-P energy: -4.343 tors. eta vs tors. theta energy: -0.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -42.768664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.768664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.768664 (E_RNA) where: Base-Base interactions energy: -17.803 where: short stacking energy: -17.803 Base-Backbone interact. energy: -0.256 local terms energy: -24.709578 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -6.112 flat angles P-C4'-P energy: -2.977 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: 6, replica: 10 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -39.739271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.739271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.739271 (E_RNA) where: Base-Base interactions energy: -16.255 where: short stacking energy: -16.255 Base-Backbone interact. energy: -0.066 local terms energy: -23.418516 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -4.737 flat angles P-C4'-P energy: -3.614 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: 9 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -30.157928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.157928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.157928 (E_RNA) where: Base-Base interactions energy: -12.172 where: short stacking energy: -11.264 Base-Backbone interact. energy: -0.082 local terms energy: -17.904085 where: bonds (distance) C4'-P energy: -3.812 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -2.384 flat angles P-C4'-P energy: -5.011 tors. eta vs tors. theta energy: -1.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -35.303998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.303998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.303998 (E_RNA) where: Base-Base interactions energy: -13.838 where: short stacking energy: -13.838 Base-Backbone interact. energy: -0.002 local terms energy: -21.464807 where: bonds (distance) C4'-P energy: -3.733 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.649 flat angles P-C4'-P energy: -3.745 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: 9, replica: 5 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -34.253844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.253844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.253844 (E_RNA) where: Base-Base interactions energy: -15.808 where: short stacking energy: -12.733 Base-Backbone interact. energy: -0.002 local terms energy: -18.443633 where: bonds (distance) C4'-P energy: -4.424 bonds (distance) P-C4' energy: -3.941 flat angles C4'-P-C4' energy: -4.379 flat angles P-C4'-P energy: -3.064 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: 7 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -31.320890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.320890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.320890 (E_RNA) where: Base-Base interactions energy: -12.713 where: short stacking energy: -10.957 Base-Backbone interact. energy: -0.005 local terms energy: -18.602944 where: bonds (distance) C4'-P energy: -3.655 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.044 flat angles P-C4'-P energy: -4.257 tors. eta vs tors. theta energy: -0.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -52.114232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.114232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.114232 (E_RNA) where: Base-Base interactions energy: -24.177 where: short stacking energy: -24.177 Base-Backbone interact. energy: -0.000 local terms energy: -27.937493 where: bonds (distance) C4'-P energy: -6.098 bonds (distance) P-C4' energy: -4.988 flat angles C4'-P-C4' energy: -5.787 flat angles P-C4'-P energy: -3.829 tors. eta vs tors. theta energy: -7.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -46.511144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.511144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.511144 (E_RNA) where: Base-Base interactions energy: -24.890 where: short stacking energy: -10.923 Base-Backbone interact. energy: -0.107 local terms energy: -21.514122 where: bonds (distance) C4'-P energy: -3.670 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.502 flat angles P-C4'-P energy: -3.382 tors. eta vs tors. theta energy: -2.310 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: 3, replica: 1 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -35.803693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.803693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.803693 (E_RNA) where: Base-Base interactions energy: -11.321 where: short stacking energy: -11.321 Base-Backbone interact. energy: -0.089 local terms energy: -24.394516 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -5.837 flat angles C4'-P-C4' energy: -6.207 flat angles P-C4'-P energy: -3.061 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: 4, replica: 2 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -41.625281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.625281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.625281 (E_RNA) where: Base-Base interactions energy: -15.478 where: short stacking energy: -15.478 Base-Backbone interact. energy: -0.013 local terms energy: -26.135034 where: bonds (distance) C4'-P energy: -4.442 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.614 flat angles P-C4'-P energy: -4.946 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: 5, replica: 10 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -42.256521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.256521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.256521 (E_RNA) where: Base-Base interactions energy: -19.104 where: short stacking energy: -19.104 Base-Backbone interact. energy: -0.009 local terms energy: -23.143018 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.350 flat angles P-C4'-P energy: -3.126 tors. eta vs tors. theta energy: -3.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -40.066553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.066553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.066553 (E_RNA) where: Base-Base interactions energy: -16.801 where: short stacking energy: -14.622 Base-Backbone interact. energy: -0.000 local terms energy: -23.266007 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -4.772 flat angles P-C4'-P energy: -4.648 tors. eta vs tors. theta energy: -2.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -37.494367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.494367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.494367 (E_RNA) where: Base-Base interactions energy: -15.640 where: short stacking energy: -14.398 Base-Backbone interact. energy: -0.000 local terms energy: -21.854766 where: bonds (distance) C4'-P energy: -5.286 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -3.176 flat angles P-C4'-P energy: -4.136 tors. eta vs tors. theta energy: -2.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -33.845141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.845141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.845141 (E_RNA) where: Base-Base interactions energy: -11.763 where: short stacking energy: -5.982 Base-Backbone interact. energy: -0.009 local terms energy: -22.072971 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -4.330 flat angles P-C4'-P energy: -5.507 tors. eta vs tors. theta energy: 0.655 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: 7 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -34.621648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.621648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.621648 (E_RNA) where: Base-Base interactions energy: -10.212 where: short stacking energy: -10.212 Base-Backbone interact. energy: -0.000 local terms energy: -24.409637 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.104 flat angles C4'-P-C4' energy: -6.152 flat angles P-C4'-P energy: -1.462 tors. eta vs tors. theta energy: -4.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -35.713912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.713912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.713912 (E_RNA) where: Base-Base interactions energy: -15.396 where: short stacking energy: -15.396 Base-Backbone interact. energy: -0.001 local terms energy: -20.317177 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -5.499 flat angles P-C4'-P energy: -2.376 tors. eta vs tors. theta energy: -1.309 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: 1, replica: 4 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -47.494360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.494360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.494360 (E_RNA) where: Base-Base interactions energy: -21.604 where: short stacking energy: -21.604 Base-Backbone interact. energy: -0.003 local terms energy: -25.887041 where: bonds (distance) C4'-P energy: -4.764 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -6.151 flat angles P-C4'-P energy: -3.489 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: 2, replica: 1 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -45.707079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.707079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.707079 (E_RNA) where: Base-Base interactions energy: -18.197 where: short stacking energy: -18.197 Base-Backbone interact. energy: -0.000 local terms energy: -27.509588 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -5.252 flat angles P-C4'-P energy: -3.299 tors. eta vs tors. theta energy: -6.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -37.866041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.866041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.866041 (E_RNA) where: Base-Base interactions energy: -16.601 where: short stacking energy: -16.601 Base-Backbone interact. energy: -0.001 local terms energy: -21.264497 where: bonds (distance) C4'-P energy: -4.515 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -5.462 flat angles P-C4'-P energy: -3.162 tors. eta vs tors. theta energy: -2.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -40.344623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.344623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.344623 (E_RNA) where: Base-Base interactions energy: -16.532 where: short stacking energy: -16.532 Base-Backbone interact. energy: -0.001 local terms energy: -23.812093 where: bonds (distance) C4'-P energy: -4.686 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -6.007 flat angles P-C4'-P energy: -3.977 tors. eta vs tors. theta energy: -2.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -44.082812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.082812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.082812 (E_RNA) where: Base-Base interactions energy: -22.189 where: short stacking energy: -22.189 Base-Backbone interact. energy: -0.000 local terms energy: -21.893603 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -4.270 flat angles C4'-P-C4' energy: -5.003 flat angles P-C4'-P energy: -3.091 tors. eta vs tors. theta energy: -4.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -39.204920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.204920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.204920 (E_RNA) where: Base-Base interactions energy: -17.348 where: short stacking energy: -17.348 Base-Backbone interact. energy: -0.000 local terms energy: -21.856204 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -3.458 flat angles P-C4'-P energy: -2.434 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: 7, replica: 8 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -32.979179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.979179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.979179 (E_RNA) where: Base-Base interactions energy: -12.040 where: short stacking energy: -9.094 Base-Backbone interact. energy: -0.004 local terms energy: -20.935308 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.781 flat angles P-C4'-P energy: -3.892 tors. eta vs tors. theta energy: 0.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -36.824519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.824519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.824519 (E_RNA) where: Base-Base interactions energy: -11.506 where: short stacking energy: -11.506 Base-Backbone interact. energy: -0.000 local terms energy: -25.318642 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -6.278 flat angles P-C4'-P energy: -4.391 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: 9 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -33.744298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.744298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.744298 (E_RNA) where: Base-Base interactions energy: -12.032 where: short stacking energy: -12.032 Base-Backbone interact. energy: -0.000 local terms energy: -21.712292 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.595 flat angles P-C4'-P energy: -2.577 tors. eta vs tors. theta energy: -0.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -33.032558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.032558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.032558 (E_RNA) where: Base-Base interactions energy: -10.653 where: short stacking energy: -10.653 Base-Backbone interact. energy: -0.000 local terms energy: -22.379060 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.816 flat angles P-C4'-P energy: -1.292 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: 1, replica: 1 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -49.557718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.557718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.557718 (E_RNA) where: Base-Base interactions energy: -20.245 where: short stacking energy: -20.245 Base-Backbone interact. energy: -0.000 local terms energy: -29.312429 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.478 flat angles P-C4'-P energy: -4.506 tors. eta vs tors. theta energy: -6.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -37.342873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.342873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.342873 (E_RNA) where: Base-Base interactions energy: -15.858 where: short stacking energy: -15.858 Base-Backbone interact. energy: -0.015 local terms energy: -21.470003 where: bonds (distance) C4'-P energy: -4.397 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -3.401 flat angles P-C4'-P energy: -4.651 tors. eta vs tors. theta energy: -2.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -44.208659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.208659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.208659 (E_RNA) where: Base-Base interactions energy: -20.443 where: short stacking energy: -20.443 Base-Backbone interact. energy: -0.000 local terms energy: -23.765473 where: bonds (distance) C4'-P energy: -4.185 bonds (distance) P-C4' energy: -4.910 flat angles C4'-P-C4' energy: -5.936 flat angles P-C4'-P energy: -3.297 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: 4, replica: 6 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -42.553331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.553331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.553331 (E_RNA) where: Base-Base interactions energy: -21.426 where: short stacking energy: -10.616 Base-Backbone interact. energy: -0.005 local terms energy: -21.121564 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -3.565 flat angles P-C4'-P energy: -4.509 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: 5, replica: 3 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -41.641079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.641079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.641079 (E_RNA) where: Base-Base interactions energy: -14.860 where: short stacking energy: -14.860 Base-Backbone interact. energy: -0.000 local terms energy: -26.781168 where: bonds (distance) C4'-P energy: -4.869 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.707 flat angles P-C4'-P energy: -5.095 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: 6, replica: 10 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -39.896763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.896763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.896763 (E_RNA) where: Base-Base interactions energy: -13.288 where: short stacking energy: -13.288 Base-Backbone interact. energy: -0.089 local terms energy: -26.520292 where: bonds (distance) C4'-P energy: -4.516 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.122 flat angles P-C4'-P energy: -5.127 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: 7, replica: 8 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -35.633865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.633865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.633865 (E_RNA) where: Base-Base interactions energy: -14.319 where: short stacking energy: -14.319 Base-Backbone interact. energy: -0.000 local terms energy: -21.315145 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -5.110 flat angles C4'-P-C4' energy: -3.726 flat angles P-C4'-P energy: -4.651 tors. eta vs tors. theta energy: -2.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -29.405011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.405011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.405011 (E_RNA) where: Base-Base interactions energy: -8.578 where: short stacking energy: -8.578 Base-Backbone interact. energy: -0.020 local terms energy: -20.807212 where: bonds (distance) C4'-P energy: -4.619 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -6.077 flat angles P-C4'-P energy: -3.062 tors. eta vs tors. theta energy: 0.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -31.613038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.613038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.613038 (E_RNA) where: Base-Base interactions energy: -10.615 where: short stacking energy: -10.615 Base-Backbone interact. energy: -0.007 local terms energy: -20.991158 where: bonds (distance) C4'-P energy: -4.160 bonds (distance) P-C4' energy: -4.880 flat angles C4'-P-C4' energy: -6.238 flat angles P-C4'-P energy: -4.014 tors. eta vs tors. theta energy: -1.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -35.870605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.870605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.870605 (E_RNA) where: Base-Base interactions energy: -14.745 where: short stacking energy: -14.745 Base-Backbone interact. energy: -0.009 local terms energy: -21.116739 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -3.938 flat angles C4'-P-C4' energy: -4.694 flat angles P-C4'-P energy: -3.107 tors. eta vs tors. theta energy: -3.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -44.494226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.494226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.494226 (E_RNA) where: Base-Base interactions energy: -18.996 where: short stacking energy: -15.450 Base-Backbone interact. energy: -0.002 local terms energy: -25.496182 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.157 flat angles P-C4'-P energy: -3.766 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: 2, replica: 4 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -43.993264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.993264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.993264 (E_RNA) where: Base-Base interactions energy: -18.238 where: short stacking energy: -18.238 Base-Backbone interact. energy: -0.001 local terms energy: -25.754506 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -4.416 flat angles C4'-P-C4' energy: -5.320 flat angles P-C4'-P energy: -3.751 tors. eta vs tors. theta energy: -7.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -39.161479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.161479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.161479 (E_RNA) where: Base-Base interactions energy: -15.350 where: short stacking energy: -15.350 Base-Backbone interact. energy: -0.000 local terms energy: -23.811523 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -5.483 flat angles P-C4'-P energy: -3.334 tors. eta vs tors. theta energy: -3.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -40.559884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.559884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.559884 (E_RNA) where: Base-Base interactions energy: -20.297 where: short stacking energy: -13.580 Base-Backbone interact. energy: -0.020 local terms energy: -20.243270 where: bonds (distance) C4'-P energy: -4.756 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.604 flat angles P-C4'-P energy: -2.890 tors. eta vs tors. theta energy: -1.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -36.513271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.513271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.513271 (E_RNA) where: Base-Base interactions energy: -16.293 where: short stacking energy: -16.293 Base-Backbone interact. energy: -0.003 local terms energy: -20.217363 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -3.450 flat angles P-C4'-P energy: -2.460 tors. eta vs tors. theta energy: -2.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -40.762440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.762440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.762440 (E_RNA) where: Base-Base interactions energy: -17.010 where: short stacking energy: -15.312 Base-Backbone interact. energy: -0.423 local terms energy: -23.329614 where: bonds (distance) C4'-P energy: -4.230 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -4.424 flat angles P-C4'-P energy: -3.857 tors. eta vs tors. theta energy: -3.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -32.929334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.929334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.929334 (E_RNA) where: Base-Base interactions energy: -13.596 where: short stacking energy: -13.596 Base-Backbone interact. energy: -0.001 local terms energy: -19.332284 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.823 flat angles P-C4'-P energy: -2.633 tors. eta vs tors. theta energy: -1.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -41.395674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.395674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.395674 (E_RNA) where: Base-Base interactions energy: -19.170 where: short stacking energy: -19.170 Base-Backbone interact. energy: -0.000 local terms energy: -22.225471 where: bonds (distance) C4'-P energy: -3.999 bonds (distance) P-C4' energy: -2.787 flat angles C4'-P-C4' energy: -6.662 flat angles P-C4'-P energy: -4.432 tors. eta vs tors. theta energy: -4.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -33.518403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.518403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.518403 (E_RNA) where: Base-Base interactions energy: -13.040 where: short stacking energy: -13.040 Base-Backbone interact. energy: -0.008 local terms energy: -20.470686 where: bonds (distance) C4'-P energy: -4.115 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.830 flat angles P-C4'-P energy: -3.054 tors. eta vs tors. theta energy: -0.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -33.260608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.260608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.260608 (E_RNA) where: Base-Base interactions energy: -17.017 where: short stacking energy: -8.613 Base-Backbone interact. energy: -0.106 local terms energy: -16.137897 where: bonds (distance) C4'-P energy: -4.959 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -2.740 flat angles P-C4'-P energy: -2.878 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: 1, replica: 4 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -45.817816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.817816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.817816 (E_RNA) where: Base-Base interactions energy: -20.884 where: short stacking energy: -20.884 Base-Backbone interact. energy: -0.092 local terms energy: -24.842102 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -5.563 flat angles P-C4'-P energy: -3.688 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: 2, replica: 1 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -43.688126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.688126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.688126 (E_RNA) where: Base-Base interactions energy: -17.265 where: short stacking energy: -17.265 Base-Backbone interact. energy: -0.000 local terms energy: -26.422959 where: bonds (distance) C4'-P energy: -5.033 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.880 flat angles P-C4'-P energy: -3.823 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: 3, replica: 3 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -38.071951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.071951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.071951 (E_RNA) where: Base-Base interactions energy: -16.782 where: short stacking energy: -16.782 Base-Backbone interact. energy: -0.002 local terms energy: -21.288383 where: bonds (distance) C4'-P energy: -2.591 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.253 flat angles P-C4'-P energy: -4.757 tors. eta vs tors. theta energy: -1.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -45.094175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.094175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.094175 (E_RNA) where: Base-Base interactions energy: -22.628 where: short stacking energy: -17.080 Base-Backbone interact. energy: -0.099 local terms energy: -22.366648 where: bonds (distance) C4'-P energy: -5.422 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -5.238 flat angles P-C4'-P energy: -4.006 tors. eta vs tors. theta energy: -3.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -39.545498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.545498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.545498 (E_RNA) where: Base-Base interactions energy: -17.311 where: short stacking energy: -16.959 Base-Backbone interact. energy: -1.327 local terms energy: -20.906952 where: bonds (distance) C4'-P energy: -4.135 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -5.953 flat angles P-C4'-P energy: -1.802 tors. eta vs tors. theta energy: -2.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -46.034888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.034888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.034888 (E_RNA) where: Base-Base interactions energy: -20.860 where: short stacking energy: -20.860 Base-Backbone interact. energy: -0.008 local terms energy: -25.166886 where: bonds (distance) C4'-P energy: -5.277 bonds (distance) P-C4' energy: -5.315 flat angles C4'-P-C4' energy: -5.395 flat angles P-C4'-P energy: -4.207 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: 5 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -42.459100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.459100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.459100 (E_RNA) where: Base-Base interactions energy: -20.896 where: short stacking energy: -12.526 Base-Backbone interact. energy: -0.187 local terms energy: -21.376581 where: bonds (distance) C4'-P energy: -3.936 bonds (distance) P-C4' energy: -6.358 flat angles C4'-P-C4' energy: -5.476 flat angles P-C4'-P energy: -2.369 tors. eta vs tors. theta energy: -3.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -34.591441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.591441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.591441 (E_RNA) where: Base-Base interactions energy: -9.124 where: short stacking energy: -9.124 Base-Backbone interact. energy: -0.000 local terms energy: -25.467255 where: bonds (distance) C4'-P energy: -4.761 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.727 flat angles P-C4'-P energy: -4.739 tors. eta vs tors. theta energy: -3.107 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: 9 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -31.554124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.554124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.554124 (E_RNA) where: Base-Base interactions energy: -7.462 where: short stacking energy: -7.462 Base-Backbone interact. energy: 0.409 local terms energy: -24.500908 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.948 flat angles P-C4'-P energy: -5.412 tors. eta vs tors. theta energy: -0.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -33.745071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.745071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.745071 (E_RNA) where: Base-Base interactions energy: -14.825 where: short stacking energy: -14.825 Base-Backbone interact. energy: -0.035 local terms energy: -18.885584 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -0.764 flat angles P-C4'-P energy: -4.456 tors. eta vs tors. theta energy: -1.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -44.857541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.857541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.857541 (E_RNA) where: Base-Base interactions energy: -23.423 where: short stacking energy: -13.645 Base-Backbone interact. energy: -0.000 local terms energy: -21.434946 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -5.110 flat angles C4'-P-C4' energy: -6.537 flat angles P-C4'-P energy: -3.052 tors. eta vs tors. theta energy: -0.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -49.154470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.154470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.154470 (E_RNA) where: Base-Base interactions energy: -24.510 where: short stacking energy: -24.510 Base-Backbone interact. energy: -0.000 local terms energy: -24.644477 where: bonds (distance) C4'-P energy: -4.723 bonds (distance) P-C4' energy: -4.910 flat angles C4'-P-C4' energy: -4.547 flat angles P-C4'-P energy: -2.814 tors. eta vs tors. theta energy: -7.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -47.596430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.596430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.596430 (E_RNA) where: Base-Base interactions energy: -21.470 where: short stacking energy: -21.470 Base-Backbone interact. energy: -0.000 local terms energy: -26.126199 where: bonds (distance) C4'-P energy: -5.306 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.825 flat angles P-C4'-P energy: -2.676 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: 4, replica: 6 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -52.074818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.074818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.074818 (E_RNA) where: Base-Base interactions energy: -28.640 where: short stacking energy: -9.723 Base-Backbone interact. energy: -0.054 local terms energy: -23.381050 where: bonds (distance) C4'-P energy: -4.409 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -5.197 flat angles P-C4'-P energy: -3.384 tors. eta vs tors. theta energy: -3.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -42.993414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.993414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.993414 (E_RNA) where: Base-Base interactions energy: -21.133 where: short stacking energy: -20.582 Base-Backbone interact. energy: -0.041 local terms energy: -21.819295 where: bonds (distance) C4'-P energy: -5.427 bonds (distance) P-C4' energy: -5.417 flat angles C4'-P-C4' energy: -4.649 flat angles P-C4'-P energy: -3.865 tors. eta vs tors. theta energy: -2.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -41.755177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.755177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.755177 (E_RNA) where: Base-Base interactions energy: -17.668 where: short stacking energy: -17.668 Base-Backbone interact. energy: -0.000 local terms energy: -24.086876 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -4.416 flat angles C4'-P-C4' energy: -5.891 flat angles P-C4'-P energy: -3.818 tors. eta vs tors. theta energy: -4.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -32.633616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.633616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.633616 (E_RNA) where: Base-Base interactions energy: -14.498 where: short stacking energy: -14.498 Base-Backbone interact. energy: -0.000 local terms energy: -18.135859 where: bonds (distance) C4'-P energy: -3.341 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.440 flat angles P-C4'-P energy: -1.513 tors. eta vs tors. theta energy: -2.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -38.272477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.272477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.272477 (E_RNA) where: Base-Base interactions energy: -15.459 where: short stacking energy: -15.459 Base-Backbone interact. energy: -0.086 local terms energy: -22.727475 where: bonds (distance) C4'-P energy: -4.747 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -3.341 flat angles P-C4'-P energy: -4.644 tors. eta vs tors. theta energy: -3.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -39.725187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.725187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.725187 (E_RNA) where: Base-Base interactions energy: -15.905 where: short stacking energy: -15.905 Base-Backbone interact. energy: -0.000 local terms energy: -23.820531 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.275 flat angles P-C4'-P energy: -2.976 tors. eta vs tors. theta energy: -3.582 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: 7 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -28.241910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.241910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.241910 (E_RNA) where: Base-Base interactions energy: -7.938 where: short stacking energy: -7.938 Base-Backbone interact. energy: -0.051 local terms energy: -20.253263 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -3.157 flat angles P-C4'-P energy: -3.059 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: 1, replica: 1 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -47.678734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.678734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.678734 (E_RNA) where: Base-Base interactions energy: -25.944 where: short stacking energy: -18.278 Base-Backbone interact. energy: -0.075 local terms energy: -21.660496 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -4.008 flat angles P-C4'-P energy: -2.873 tors. eta vs tors. theta energy: -3.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -42.850738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.850738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.850738 (E_RNA) where: Base-Base interactions energy: -20.973 where: short stacking energy: -20.973 Base-Backbone interact. energy: -0.004 local terms energy: -21.873585 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -1.623 flat angles P-C4'-P energy: -3.121 tors. eta vs tors. theta energy: -4.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -44.675127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.675127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.675127 (E_RNA) where: Base-Base interactions energy: -17.432 where: short stacking energy: -17.432 Base-Backbone interact. energy: -0.000 local terms energy: -27.242579 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.407 flat angles P-C4'-P energy: -1.709 tors. eta vs tors. theta energy: -7.612 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: 3 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -40.433472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.433472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.433472 (E_RNA) where: Base-Base interactions energy: -19.776 where: short stacking energy: -9.030 Base-Backbone interact. energy: -0.014 local terms energy: -20.642730 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -5.159 flat angles C4'-P-C4' energy: -5.926 flat angles P-C4'-P energy: -4.167 tors. eta vs tors. theta energy: 0.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -42.251116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.251116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.251116 (E_RNA) where: Base-Base interactions energy: -19.621 where: short stacking energy: -19.621 Base-Backbone interact. energy: -0.043 local terms energy: -22.586718 where: bonds (distance) C4'-P energy: -3.998 bonds (distance) P-C4' energy: -4.395 flat angles C4'-P-C4' energy: -4.599 flat angles P-C4'-P energy: -4.632 tors. eta vs tors. theta energy: -4.962 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: 6, replica: 2 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -38.414117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.414117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.414117 (E_RNA) where: Base-Base interactions energy: -13.739 where: short stacking energy: -13.739 Base-Backbone interact. energy: -0.004 local terms energy: -24.671695 where: bonds (distance) C4'-P energy: -6.023 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -5.343 flat angles P-C4'-P energy: -4.589 tors. eta vs tors. theta energy: -2.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -35.573174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.573174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.573174 (E_RNA) where: Base-Base interactions energy: -15.055 where: short stacking energy: -10.634 Base-Backbone interact. energy: -0.007 local terms energy: -20.511515 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -3.028 flat angles P-C4'-P energy: -4.413 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: 8, replica: 5 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -31.909543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.909543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.909543 (E_RNA) where: Base-Base interactions energy: -9.803 where: short stacking energy: -9.803 Base-Backbone interact. energy: -0.057 local terms energy: -22.050212 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -3.002 flat angles P-C4'-P energy: -4.877 tors. eta vs tors. theta energy: -1.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -35.478331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.478331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.478331 (E_RNA) where: Base-Base interactions energy: -12.874 where: short stacking energy: -12.874 Base-Backbone interact. energy: -0.000 local terms energy: -22.603806 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.389 flat angles P-C4'-P energy: -3.355 tors. eta vs tors. theta energy: -3.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -34.769521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.769521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.769521 (E_RNA) where: Base-Base interactions energy: -14.566 where: short stacking energy: -7.956 Base-Backbone interact. energy: -0.000 local terms energy: -20.203419 where: bonds (distance) C4'-P energy: -4.399 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.243 flat angles P-C4'-P energy: -3.804 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: 1, replica: 1 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -49.283815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.283815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.283815 (E_RNA) where: Base-Base interactions energy: -20.886 where: short stacking energy: -20.886 Base-Backbone interact. energy: -0.000 local terms energy: -28.397413 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.038 flat angles P-C4'-P energy: -4.052 tors. eta vs tors. theta energy: -5.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -58.032371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.032371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.032371 (E_RNA) where: Base-Base interactions energy: -32.999 where: short stacking energy: -18.006 Base-Backbone interact. energy: -0.003 local terms energy: -25.030390 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.711 flat angles P-C4'-P energy: -4.029 tors. eta vs tors. theta energy: -3.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -42.755789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.755789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.755789 (E_RNA) where: Base-Base interactions energy: -16.630 where: short stacking energy: -16.630 Base-Backbone interact. energy: -0.000 local terms energy: -26.125501 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.675 flat angles P-C4'-P energy: -4.576 tors. eta vs tors. theta energy: -4.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -45.308113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.308113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.308113 (E_RNA) where: Base-Base interactions energy: -20.704 where: short stacking energy: -20.704 Base-Backbone interact. energy: -0.000 local terms energy: -24.603668 where: bonds (distance) C4'-P energy: -5.128 bonds (distance) P-C4' energy: -3.736 flat angles C4'-P-C4' energy: -6.287 flat angles P-C4'-P energy: -3.960 tors. eta vs tors. theta energy: -5.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -36.164426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.164426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.164426 (E_RNA) where: Base-Base interactions energy: -14.333 where: short stacking energy: -14.333 Base-Backbone interact. energy: -0.039 local terms energy: -21.793022 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -4.410 flat angles P-C4'-P energy: -2.533 tors. eta vs tors. theta energy: -2.565 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: 99 Temperature: 1.150000 Total energy: -35.025724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.025724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.025724 (E_RNA) where: Base-Base interactions energy: -14.410 where: short stacking energy: -8.808 Base-Backbone interact. energy: -0.118 local terms energy: -20.497436 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -5.062 flat angles P-C4'-P energy: -4.368 tors. eta vs tors. theta energy: 0.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -43.904681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.904681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.904681 (E_RNA) where: Base-Base interactions energy: -18.890 where: short stacking energy: -18.890 Base-Backbone interact. energy: -0.080 local terms energy: -24.935336 where: bonds (distance) C4'-P energy: -4.864 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.043 flat angles P-C4'-P energy: -4.872 tors. eta vs tors. theta energy: -3.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -34.204071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.204071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.204071 (E_RNA) where: Base-Base interactions energy: -11.670 where: short stacking energy: -11.045 Base-Backbone interact. energy: -0.000 local terms energy: -22.534119 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -3.941 flat angles C4'-P-C4' energy: -3.775 flat angles P-C4'-P energy: -4.702 tors. eta vs tors. theta energy: -4.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -33.199760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.199760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.199760 (E_RNA) where: Base-Base interactions energy: -13.843 where: short stacking energy: -10.586 Base-Backbone interact. energy: -0.000 local terms energy: -19.356961 where: bonds (distance) C4'-P energy: -5.394 bonds (distance) P-C4' energy: -5.273 flat angles C4'-P-C4' energy: -1.427 flat angles P-C4'-P energy: -3.979 tors. eta vs tors. theta energy: -3.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -33.693124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.693124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.693124 (E_RNA) where: Base-Base interactions energy: -10.666 where: short stacking energy: -10.666 Base-Backbone interact. energy: -0.020 local terms energy: -23.007289 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.913 flat angles P-C4'-P energy: -4.743 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: 1, replica: 4 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -50.865779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.865779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.865779 (E_RNA) where: Base-Base interactions energy: -23.183 where: short stacking energy: -23.183 Base-Backbone interact. energy: -0.000 local terms energy: -27.681845 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -3.418 flat angles P-C4'-P energy: -4.091 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: 2, replica: 1 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -48.385589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.385589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.385589 (E_RNA) where: Base-Base interactions energy: -24.853 where: short stacking energy: -18.476 Base-Backbone interact. energy: -0.023 local terms energy: -23.509297 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -5.131 flat angles C4'-P-C4' energy: -6.151 flat angles P-C4'-P energy: -4.236 tors. eta vs tors. theta energy: -2.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -45.756702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.756702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.756702 (E_RNA) where: Base-Base interactions energy: -18.342 where: short stacking energy: -18.342 Base-Backbone interact. energy: -0.012 local terms energy: -27.403140 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.040 flat angles P-C4'-P energy: -4.345 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: 4, replica: 6 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -44.323357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.323357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.323357 (E_RNA) where: Base-Base interactions energy: -19.620 where: short stacking energy: -19.620 Base-Backbone interact. energy: -0.001 local terms energy: -24.701712 where: bonds (distance) C4'-P energy: -3.746 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -5.526 flat angles P-C4'-P energy: -4.289 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: 5, replica: 9 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -38.198706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.198706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.198706 (E_RNA) where: Base-Base interactions energy: -12.984 where: short stacking energy: -12.984 Base-Backbone interact. energy: -0.002 local terms energy: -25.212583 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -4.470 flat angles C4'-P-C4' energy: -6.451 flat angles P-C4'-P energy: -5.061 tors. eta vs tors. theta energy: -3.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -43.797891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.797891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.797891 (E_RNA) where: Base-Base interactions energy: -19.599 where: short stacking energy: -15.614 Base-Backbone interact. energy: -0.001 local terms energy: -24.198401 where: bonds (distance) C4'-P energy: -4.425 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -4.413 flat angles P-C4'-P energy: -4.810 tors. eta vs tors. theta energy: -4.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -42.658799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.658799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.658799 (E_RNA) where: Base-Base interactions energy: -20.472 where: short stacking energy: -20.472 Base-Backbone interact. energy: -0.000 local terms energy: -22.186902 where: bonds (distance) C4'-P energy: -3.435 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.965 flat angles P-C4'-P energy: -2.431 tors. eta vs tors. theta energy: -4.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -37.762173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.762173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.762173 (E_RNA) where: Base-Base interactions energy: -16.425 where: short stacking energy: -16.425 Base-Backbone interact. energy: -0.000 local terms energy: -21.336680 where: bonds (distance) C4'-P energy: -3.403 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -3.278 flat angles P-C4'-P energy: -4.996 tors. eta vs tors. theta energy: -3.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -42.633564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.633564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.633564 (E_RNA) where: Base-Base interactions energy: -19.388 where: short stacking energy: -19.388 Base-Backbone interact. energy: -0.000 local terms energy: -23.245298 where: bonds (distance) C4'-P energy: -4.549 bonds (distance) P-C4' energy: -4.392 flat angles C4'-P-C4' energy: -4.291 flat angles P-C4'-P energy: -4.257 tors. eta vs tors. theta energy: -5.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -35.705935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.705935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.705935 (E_RNA) where: Base-Base interactions energy: -12.984 where: short stacking energy: -12.984 Base-Backbone interact. energy: -0.194 local terms energy: -22.527508 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -4.988 flat angles C4'-P-C4' energy: -4.584 flat angles P-C4'-P energy: -3.936 tors. eta vs tors. theta energy: -3.262 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: 4 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -52.651689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.651689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.651689 (E_RNA) where: Base-Base interactions energy: -24.019 where: short stacking energy: -24.019 Base-Backbone interact. energy: -0.000 local terms energy: -28.632201 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.531 flat angles P-C4'-P energy: -4.568 tors. eta vs tors. theta energy: -5.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -42.043204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.043204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.043204 (E_RNA) where: Base-Base interactions energy: -17.546 where: short stacking energy: -17.546 Base-Backbone interact. energy: -0.001 local terms energy: -24.496894 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.936 flat angles P-C4'-P energy: -2.472 tors. eta vs tors. theta energy: -4.426 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: 1 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -42.970146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.970146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.970146 (E_RNA) where: Base-Base interactions energy: -17.138 where: short stacking energy: -17.138 Base-Backbone interact. energy: -1.054 local terms energy: -24.778787 where: bonds (distance) C4'-P energy: -4.747 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.222 flat angles P-C4'-P energy: -4.447 tors. eta vs tors. theta energy: -3.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -44.186270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.186270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.186270 (E_RNA) where: Base-Base interactions energy: -18.297 where: short stacking energy: -18.297 Base-Backbone interact. energy: -0.003 local terms energy: -25.885627 where: bonds (distance) C4'-P energy: -5.163 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.794 flat angles P-C4'-P energy: -4.661 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: 5, replica: 6 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -36.573865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.573865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.573865 (E_RNA) where: Base-Base interactions energy: -17.259 where: short stacking energy: -9.493 Base-Backbone interact. energy: -0.000 local terms energy: -19.314709 where: bonds (distance) C4'-P energy: -2.711 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -4.164 flat angles P-C4'-P energy: -3.341 tors. eta vs tors. theta energy: -2.641 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: 3 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -43.067695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.067695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.067695 (E_RNA) where: Base-Base interactions energy: -18.730 where: short stacking energy: -14.614 Base-Backbone interact. energy: -0.001 local terms energy: -24.336651 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.378 flat angles P-C4'-P energy: -2.849 tors. eta vs tors. theta energy: -4.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -35.943281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.943281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.943281 (E_RNA) where: Base-Base interactions energy: -16.106 where: short stacking energy: -16.106 Base-Backbone interact. energy: -0.020 local terms energy: -19.817709 where: bonds (distance) C4'-P energy: -4.703 bonds (distance) P-C4' energy: -6.202 flat angles C4'-P-C4' energy: -2.930 flat angles P-C4'-P energy: -2.595 tors. eta vs tors. theta energy: -3.389 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: 10 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -38.712893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.712893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.712893 (E_RNA) where: Base-Base interactions energy: -15.654 where: short stacking energy: -15.654 Base-Backbone interact. energy: -0.000 local terms energy: -23.059351 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -4.205 flat angles C4'-P-C4' energy: -3.948 flat angles P-C4'-P energy: -3.959 tors. eta vs tors. theta energy: -4.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -32.439532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.439532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.439532 (E_RNA) where: Base-Base interactions energy: -11.033 where: short stacking energy: -9.516 Base-Backbone interact. energy: -0.033 local terms energy: -21.372768 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -3.608 flat angles P-C4'-P energy: -3.951 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: 5 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -34.118238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.118238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.118238 (E_RNA) where: Base-Base interactions energy: -12.666 where: short stacking energy: -12.666 Base-Backbone interact. energy: -0.164 local terms energy: -21.288679 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -3.364 flat angles P-C4'-P energy: -4.404 tors. eta vs tors. theta energy: -2.101 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: 8 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -50.095541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.095541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.095541 (E_RNA) where: Base-Base interactions energy: -25.710 where: short stacking energy: -14.634 Base-Backbone interact. energy: 0.665 local terms energy: -25.050008 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.553 flat angles P-C4'-P energy: -4.291 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: 2, replica: 4 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -48.454065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.454065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.454065 (E_RNA) where: Base-Base interactions energy: -26.591 where: short stacking energy: -18.022 Base-Backbone interact. energy: -0.108 local terms energy: -21.754856 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.924 flat angles P-C4'-P energy: -0.670 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: 3, replica: 9 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -45.694882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.694882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.694882 (E_RNA) where: Base-Base interactions energy: -20.922 where: short stacking energy: -20.922 Base-Backbone interact. energy: -0.000 local terms energy: -24.772799 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.799 flat angles P-C4'-P energy: -5.534 tors. eta vs tors. theta energy: -5.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -38.628856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.628856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.628856 (E_RNA) where: Base-Base interactions energy: -16.347 where: short stacking energy: -16.347 Base-Backbone interact. energy: -0.000 local terms energy: -22.281488 where: bonds (distance) C4'-P energy: -5.733 bonds (distance) P-C4' energy: -6.149 flat angles C4'-P-C4' energy: -5.800 flat angles P-C4'-P energy: -0.158 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: 5, replica: 3 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -38.021537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.021537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.021537 (E_RNA) where: Base-Base interactions energy: -17.415 where: short stacking energy: -14.756 Base-Backbone interact. energy: -0.769 local terms energy: -19.838254 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -4.917 flat angles C4'-P-C4' energy: -4.600 flat angles P-C4'-P energy: -2.974 tors. eta vs tors. theta energy: -2.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -41.909630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.909630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.909630 (E_RNA) where: Base-Base interactions energy: -19.092 where: short stacking energy: -19.092 Base-Backbone interact. energy: -0.000 local terms energy: -22.817518 where: bonds (distance) C4'-P energy: -4.802 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.336 flat angles P-C4'-P energy: -2.133 tors. eta vs tors. theta energy: -4.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -39.568276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.568276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.568276 (E_RNA) where: Base-Base interactions energy: -16.541 where: short stacking energy: -16.541 Base-Backbone interact. energy: -0.000 local terms energy: -23.026808 where: bonds (distance) C4'-P energy: -4.647 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.121 flat angles P-C4'-P energy: -5.005 tors. eta vs tors. theta energy: -2.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -36.265851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.265851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.265851 (E_RNA) where: Base-Base interactions energy: -13.601 where: short stacking energy: -13.601 Base-Backbone interact. energy: -0.002 local terms energy: -22.663228 where: bonds (distance) C4'-P energy: -4.135 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -5.242 flat angles P-C4'-P energy: -4.147 tors. eta vs tors. theta energy: -2.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -33.169697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.169697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.169697 (E_RNA) where: Base-Base interactions energy: -12.373 where: short stacking energy: -12.373 Base-Backbone interact. energy: -0.000 local terms energy: -20.797099 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -4.153 flat angles C4'-P-C4' energy: -3.059 flat angles P-C4'-P energy: -3.888 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: 10, replica: 2 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -37.505648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.505648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.505648 (E_RNA) where: Base-Base interactions energy: -17.949 where: short stacking energy: -9.731 Base-Backbone interact. energy: -0.032 local terms energy: -19.525515 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -3.727 flat angles C4'-P-C4' energy: -5.230 flat angles P-C4'-P energy: -3.300 tors. eta vs tors. theta energy: -1.618 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: 8 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -44.892480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.892480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.892480 (E_RNA) where: Base-Base interactions energy: -19.717 where: short stacking energy: -6.265 Base-Backbone interact. energy: -0.031 local terms energy: -25.143585 where: bonds (distance) C4'-P energy: -5.055 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.559 flat angles P-C4'-P energy: -5.175 tors. eta vs tors. theta energy: -2.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -51.026295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.026295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.026295 (E_RNA) where: Base-Base interactions energy: -25.848 where: short stacking energy: -25.848 Base-Backbone interact. energy: -0.000 local terms energy: -25.178754 where: bonds (distance) C4'-P energy: -4.843 bonds (distance) P-C4' energy: -3.969 flat angles C4'-P-C4' energy: -5.899 flat angles P-C4'-P energy: -4.190 tors. eta vs tors. theta energy: -6.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -40.106488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.106488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.106488 (E_RNA) where: Base-Base interactions energy: -17.920 where: short stacking energy: -17.920 Base-Backbone interact. energy: -0.073 local terms energy: -22.114202 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -5.839 flat angles P-C4'-P energy: -3.289 tors. eta vs tors. theta energy: -2.100 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: 3 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -50.063526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.063526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.063526 (E_RNA) where: Base-Base interactions energy: -27.376 where: short stacking energy: -19.727 Base-Backbone interact. energy: -0.003 local terms energy: -22.684522 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -5.179 flat angles P-C4'-P energy: -3.262 tors. eta vs tors. theta energy: -2.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -43.159837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.159837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.159837 (E_RNA) where: Base-Base interactions energy: -16.758 where: short stacking energy: -16.758 Base-Backbone interact. energy: -0.001 local terms energy: -26.401146 where: bonds (distance) C4'-P energy: -4.619 bonds (distance) P-C4' energy: -5.705 flat angles C4'-P-C4' energy: -5.584 flat angles P-C4'-P energy: -5.619 tors. eta vs tors. theta energy: -4.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -43.460987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.460987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.460987 (E_RNA) where: Base-Base interactions energy: -21.806 where: short stacking energy: -17.129 Base-Backbone interact. energy: -0.000 local terms energy: -21.654510 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -4.352 flat angles C4'-P-C4' energy: -5.608 flat angles P-C4'-P energy: -0.914 tors. eta vs tors. theta energy: -5.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -42.298053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.298053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.298053 (E_RNA) where: Base-Base interactions energy: -19.852 where: short stacking energy: -19.852 Base-Backbone interact. energy: -0.000 local terms energy: -22.446363 where: bonds (distance) C4'-P energy: -3.763 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.195 flat angles P-C4'-P energy: -3.201 tors. eta vs tors. theta energy: -4.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -35.470576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.470576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.470576 (E_RNA) where: Base-Base interactions energy: -21.081 where: short stacking energy: -11.884 Base-Backbone interact. energy: -0.174 local terms energy: -14.215987 where: bonds (distance) C4'-P energy: -2.385 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -4.935 flat angles P-C4'-P energy: 1.303 tors. eta vs tors. theta energy: -2.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -35.355155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.355155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.355155 (E_RNA) where: Base-Base interactions energy: -13.549 where: short stacking energy: -12.872 Base-Backbone interact. energy: -0.000 local terms energy: -21.806294 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -6.068 flat angles P-C4'-P energy: -2.577 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: 10, replica: 2 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -37.244758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.244758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.244758 (E_RNA) where: Base-Base interactions energy: -14.090 where: short stacking energy: -11.433 Base-Backbone interact. energy: -0.001 local terms energy: -23.153479 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.163 flat angles P-C4'-P energy: -2.076 tors. eta vs tors. theta energy: -3.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -48.708214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.708214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.708214 (E_RNA) where: Base-Base interactions energy: -23.198 where: short stacking energy: -23.198 Base-Backbone interact. energy: -0.000 local terms energy: -25.510568 where: bonds (distance) C4'-P energy: -5.481 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -5.676 flat angles P-C4'-P energy: -3.228 tors. eta vs tors. theta energy: -5.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -51.433117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.433117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.433117 (E_RNA) where: Base-Base interactions energy: -26.237 where: short stacking energy: -26.237 Base-Backbone interact. energy: -0.000 local terms energy: -25.195651 where: bonds (distance) C4'-P energy: -3.982 bonds (distance) P-C4' energy: -3.568 flat angles C4'-P-C4' energy: -6.044 flat angles P-C4'-P energy: -3.810 tors. eta vs tors. theta energy: -7.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -47.727407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.727407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.727407 (E_RNA) where: Base-Base interactions energy: -21.522 where: short stacking energy: -18.826 Base-Backbone interact. energy: -0.001 local terms energy: -26.204565 where: bonds (distance) C4'-P energy: -4.161 bonds (distance) P-C4' energy: -5.948 flat angles C4'-P-C4' energy: -6.114 flat angles P-C4'-P energy: -4.664 tors. eta vs tors. theta energy: -5.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -41.331208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.331208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.331208 (E_RNA) where: Base-Base interactions energy: -17.369 where: short stacking energy: -17.369 Base-Backbone interact. energy: -0.000 local terms energy: -23.962325 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.777 flat angles P-C4'-P energy: -1.596 tors. eta vs tors. theta energy: -5.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -36.300179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.300179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.300179 (E_RNA) where: Base-Base interactions energy: -15.738 where: short stacking energy: -15.738 Base-Backbone interact. energy: -0.001 local terms energy: -20.560936 where: bonds (distance) C4'-P energy: -2.492 bonds (distance) P-C4' energy: -5.941 flat angles C4'-P-C4' energy: -5.608 flat angles P-C4'-P energy: -4.381 tors. eta vs tors. theta energy: -2.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -42.512691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.512691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.512691 (E_RNA) where: Base-Base interactions energy: -16.807 where: short stacking energy: -15.417 Base-Backbone interact. energy: -0.001 local terms energy: -25.704441 where: bonds (distance) C4'-P energy: -5.427 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.334 flat angles P-C4'-P energy: -2.280 tors. eta vs tors. theta energy: -7.443 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: 7 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -39.459994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.459994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.459994 (E_RNA) where: Base-Base interactions energy: -14.889 where: short stacking energy: -14.889 Base-Backbone interact. energy: -0.000 local terms energy: -24.571416 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.620 flat angles P-C4'-P energy: -3.558 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: 8, replica: 6 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -35.887540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.887540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.887540 (E_RNA) where: Base-Base interactions energy: -15.622 where: short stacking energy: -10.133 Base-Backbone interact. energy: -0.185 local terms energy: -20.080484 where: bonds (distance) C4'-P energy: -4.525 bonds (distance) P-C4' energy: -4.031 flat angles C4'-P-C4' energy: -5.638 flat angles P-C4'-P energy: -4.044 tors. eta vs tors. theta energy: -1.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -28.608411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.608411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.608411 (E_RNA) where: Base-Base interactions energy: -7.577 where: short stacking energy: -7.577 Base-Backbone interact. energy: -0.000 local terms energy: -21.031084 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -3.550 flat angles P-C4'-P energy: -3.695 tors. eta vs tors. theta energy: -1.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -31.300929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.300929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.300929 (E_RNA) where: Base-Base interactions energy: -12.888 where: short stacking energy: -12.888 Base-Backbone interact. energy: -0.022 local terms energy: -18.390896 where: bonds (distance) C4'-P energy: -5.112 bonds (distance) P-C4' energy: -3.557 flat angles C4'-P-C4' energy: -4.059 flat angles P-C4'-P energy: -3.731 tors. eta vs tors. theta energy: -1.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -51.243316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.243316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.243316 (E_RNA) where: Base-Base interactions energy: -23.618 where: short stacking energy: -23.618 Base-Backbone interact. energy: -0.000 local terms energy: -27.625247 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.423 flat angles P-C4'-P energy: -3.902 tors. eta vs tors. theta energy: -6.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -51.680782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.680782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.680782 (E_RNA) where: Base-Base interactions energy: -27.526 where: short stacking energy: -16.729 Base-Backbone interact. energy: -0.047 local terms energy: -24.107486 where: bonds (distance) C4'-P energy: -4.639 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.920 flat angles P-C4'-P energy: -3.919 tors. eta vs tors. theta energy: -2.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -52.800088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.800088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.800088 (E_RNA) where: Base-Base interactions energy: -29.203 where: short stacking energy: -17.806 Base-Backbone interact. energy: -0.589 local terms energy: -23.008787 where: bonds (distance) C4'-P energy: -4.242 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.727 flat angles P-C4'-P energy: -3.703 tors. eta vs tors. theta energy: -2.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -48.453857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.453857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.453857 (E_RNA) where: Base-Base interactions energy: -21.545 where: short stacking energy: -21.545 Base-Backbone interact. energy: -0.000 local terms energy: -26.908728 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -6.318 flat angles P-C4'-P energy: -3.203 tors. eta vs tors. theta energy: -5.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -41.240847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.240847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.240847 (E_RNA) where: Base-Base interactions energy: -18.541 where: short stacking energy: -18.541 Base-Backbone interact. energy: -0.004 local terms energy: -22.695242 where: bonds (distance) C4'-P energy: -4.996 bonds (distance) P-C4' energy: -3.585 flat angles C4'-P-C4' energy: -5.545 flat angles P-C4'-P energy: -4.490 tors. eta vs tors. theta energy: -4.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -36.020149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.020149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.020149 (E_RNA) where: Base-Base interactions energy: -16.375 where: short stacking energy: -16.375 Base-Backbone interact. energy: -0.131 local terms energy: -19.514123 where: bonds (distance) C4'-P energy: -4.115 bonds (distance) P-C4' energy: -5.442 flat angles C4'-P-C4' energy: -3.357 flat angles P-C4'-P energy: -4.371 tors. eta vs tors. theta energy: -2.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -34.481669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.481669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.481669 (E_RNA) where: Base-Base interactions energy: -13.036 where: short stacking energy: -13.036 Base-Backbone interact. energy: -0.001 local terms energy: -21.444384 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.219 flat angles P-C4'-P energy: -3.149 tors. eta vs tors. theta energy: -0.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -35.891876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.891876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.891876 (E_RNA) where: Base-Base interactions energy: -14.382 where: short stacking energy: -14.382 Base-Backbone interact. energy: -0.005 local terms energy: -21.504665 where: bonds (distance) C4'-P energy: -3.130 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -4.754 flat angles P-C4'-P energy: -3.837 tors. eta vs tors. theta energy: -3.662 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: 6 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -33.956860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.956860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.956860 (E_RNA) where: Base-Base interactions energy: -14.074 where: short stacking energy: -14.074 Base-Backbone interact. energy: -0.048 local terms energy: -19.834683 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -1.026 flat angles C4'-P-C4' energy: -5.218 flat angles P-C4'-P energy: -2.545 tors. eta vs tors. theta energy: -4.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -32.082396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.082396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.082396 (E_RNA) where: Base-Base interactions energy: -12.483 where: short stacking energy: -8.953 Base-Backbone interact. energy: -0.064 local terms energy: -19.534713 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -4.882 flat angles P-C4'-P energy: -4.241 tors. eta vs tors. theta energy: 0.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -51.452988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.452988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.452988 (E_RNA) where: Base-Base interactions energy: -26.586 where: short stacking energy: -17.851 Base-Backbone interact. energy: -0.051 local terms energy: -24.815274 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.097 flat angles P-C4'-P energy: -1.926 tors. eta vs tors. theta energy: -5.133 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: 9 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -50.455683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.455683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.455683 (E_RNA) where: Base-Base interactions energy: -24.315 where: short stacking energy: -23.268 Base-Backbone interact. energy: -0.001 local terms energy: -26.140509 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -3.651 flat angles P-C4'-P energy: -3.490 tors. eta vs tors. theta energy: -7.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -46.653031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.653031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.653031 (E_RNA) where: Base-Base interactions energy: -21.474 where: short stacking energy: -21.474 Base-Backbone interact. energy: -0.000 local terms energy: -25.179087 where: bonds (distance) C4'-P energy: -4.639 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -5.585 flat angles P-C4'-P energy: -4.812 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: 4, replica: 4 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -39.204256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.204256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.204256 (E_RNA) where: Base-Base interactions energy: -18.285 where: short stacking energy: -18.285 Base-Backbone interact. energy: -0.005 local terms energy: -20.914157 where: bonds (distance) C4'-P energy: -3.531 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -4.398 flat angles P-C4'-P energy: -4.315 tors. eta vs tors. theta energy: -1.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -36.398720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.398720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.398720 (E_RNA) where: Base-Base interactions energy: -16.567 where: short stacking energy: -16.567 Base-Backbone interact. energy: -0.001 local terms energy: -19.830914 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -3.324 flat angles C4'-P-C4' energy: -5.020 flat angles P-C4'-P energy: -4.786 tors. eta vs tors. theta energy: -1.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -38.487250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.487250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.487250 (E_RNA) where: Base-Base interactions energy: -20.628 where: short stacking energy: -5.174 Base-Backbone interact. energy: -0.001 local terms energy: -17.858629 where: bonds (distance) C4'-P energy: -5.054 bonds (distance) P-C4' energy: -3.839 flat angles C4'-P-C4' energy: -3.429 flat angles P-C4'-P energy: -1.882 tors. eta vs tors. theta energy: -3.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -40.066437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.066437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.066437 (E_RNA) where: Base-Base interactions energy: -15.183 where: short stacking energy: -13.685 Base-Backbone interact. energy: -0.004 local terms energy: -24.879924 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.414 flat angles P-C4'-P energy: -4.042 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: 8, replica: 1 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -39.532919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.532919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.532919 (E_RNA) where: Base-Base interactions energy: -15.762 where: short stacking energy: -15.762 Base-Backbone interact. energy: -0.000 local terms energy: -23.770253 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -5.864 flat angles C4'-P-C4' energy: -5.624 flat angles P-C4'-P energy: -3.280 tors. eta vs tors. theta energy: -3.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -34.555425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.555425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.555425 (E_RNA) where: Base-Base interactions energy: -18.288 where: short stacking energy: -18.288 Base-Backbone interact. energy: -0.000 local terms energy: -16.267824 where: bonds (distance) C4'-P energy: -3.286 bonds (distance) P-C4' energy: -3.631 flat angles C4'-P-C4' energy: -4.768 flat angles P-C4'-P energy: -1.458 tors. eta vs tors. theta energy: -3.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -31.235687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.235687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.235687 (E_RNA) where: Base-Base interactions energy: -14.291 where: short stacking energy: -14.291 Base-Backbone interact. energy: -0.016 local terms energy: -16.929164 where: bonds (distance) C4'-P energy: -4.778 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.936 flat angles P-C4'-P energy: -1.114 tors. eta vs tors. theta energy: 1.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -52.819850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.819850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.819850 (E_RNA) where: Base-Base interactions energy: -23.960 where: short stacking energy: -23.960 Base-Backbone interact. energy: -0.000 local terms energy: -28.859777 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.131 flat angles P-C4'-P energy: -3.358 tors. eta vs tors. theta energy: -6.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -46.437835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.437835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.437835 (E_RNA) where: Base-Base interactions energy: -20.072 where: short stacking energy: -20.072 Base-Backbone interact. energy: -0.000 local terms energy: -26.366204 where: bonds (distance) C4'-P energy: -3.944 bonds (distance) P-C4' energy: -4.973 flat angles C4'-P-C4' energy: -5.978 flat angles P-C4'-P energy: -3.481 tors. eta vs tors. theta energy: -7.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -48.287596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.287596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.287596 (E_RNA) where: Base-Base interactions energy: -23.603 where: short stacking energy: -18.484 Base-Backbone interact. energy: -0.052 local terms energy: -24.632407 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -6.070 flat angles P-C4'-P energy: -3.519 tors. eta vs tors. theta energy: -4.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -41.022186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.022186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.022186 (E_RNA) where: Base-Base interactions energy: -17.613 where: short stacking energy: -17.613 Base-Backbone interact. energy: -0.029 local terms energy: -23.380692 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.192 flat angles P-C4'-P energy: -1.790 tors. eta vs tors. theta energy: -3.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -37.397029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.397029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.397029 (E_RNA) where: Base-Base interactions energy: -20.747 where: short stacking energy: -8.545 Base-Backbone interact. energy: -0.192 local terms energy: -16.457842 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.363 flat angles P-C4'-P energy: -2.524 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: 6, replica: 7 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -38.129999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.129999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.129999 (E_RNA) where: Base-Base interactions energy: -15.107 where: short stacking energy: -15.107 Base-Backbone interact. energy: -1.026 local terms energy: -21.997379 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.476 flat angles P-C4'-P energy: -2.480 tors. eta vs tors. theta energy: -2.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -35.348911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.348911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.348911 (E_RNA) where: Base-Base interactions energy: -13.855 where: short stacking energy: -13.855 Base-Backbone interact. energy: -0.000 local terms energy: -21.494020 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -5.417 flat angles C4'-P-C4' energy: -6.322 flat angles P-C4'-P energy: -4.298 tors. eta vs tors. theta energy: 0.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -38.016331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.016331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.016331 (E_RNA) where: Base-Base interactions energy: -15.615 where: short stacking energy: -15.615 Base-Backbone interact. energy: -0.100 local terms energy: -22.301780 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -5.779 flat angles P-C4'-P energy: -3.597 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: 9, replica: 1 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -31.682004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.682004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.682004 (E_RNA) where: Base-Base interactions energy: -12.439 where: short stacking energy: -1.242 Base-Backbone interact. energy: -0.064 local terms energy: -19.179024 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -4.453 flat angles P-C4'-P energy: -2.426 tors. eta vs tors. theta energy: 0.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -29.953139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.953139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.953139 (E_RNA) where: Base-Base interactions energy: -8.750 where: short stacking energy: -8.750 Base-Backbone interact. energy: -0.000 local terms energy: -21.203299 where: bonds (distance) C4'-P energy: -4.918 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.533 flat angles P-C4'-P energy: -2.267 tors. eta vs tors. theta energy: -1.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -47.156864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.156864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.156864 (E_RNA) where: Base-Base interactions energy: -22.648 where: short stacking energy: -22.648 Base-Backbone interact. energy: -0.002 local terms energy: -24.506957 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -4.516 flat angles P-C4'-P energy: -3.957 tors. eta vs tors. theta energy: -3.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -45.143158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.143158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.143158 (E_RNA) where: Base-Base interactions energy: -19.929 where: short stacking energy: -15.418 Base-Backbone interact. energy: -0.300 local terms energy: -24.913505 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.396 flat angles P-C4'-P energy: -4.860 tors. eta vs tors. theta energy: -2.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -39.806752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.806752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.806752 (E_RNA) where: Base-Base interactions energy: -16.320 where: short stacking energy: -16.320 Base-Backbone interact. energy: -0.021 local terms energy: -23.465653 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.282 flat angles P-C4'-P energy: -5.027 tors. eta vs tors. theta energy: -0.277 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: 9 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -42.844174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.844174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.844174 (E_RNA) where: Base-Base interactions energy: -16.967 where: short stacking energy: -16.967 Base-Backbone interact. energy: -0.000 local terms energy: -25.877086 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.568 flat angles P-C4'-P energy: -3.337 tors. eta vs tors. theta energy: -4.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -37.645703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.645703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.645703 (E_RNA) where: Base-Base interactions energy: -14.371 where: short stacking energy: -8.731 Base-Backbone interact. energy: -0.843 local terms energy: -22.431605 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.628 flat angles C4'-P-C4' energy: -4.647 flat angles P-C4'-P energy: -4.318 tors. eta vs tors. theta energy: -1.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -48.135701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.135701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.135701 (E_RNA) where: Base-Base interactions energy: -21.947 where: short stacking energy: -21.947 Base-Backbone interact. energy: -0.000 local terms energy: -26.188604 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.899 flat angles P-C4'-P energy: -4.420 tors. eta vs tors. theta energy: -6.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -31.728217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.728217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.728217 (E_RNA) where: Base-Base interactions energy: -13.300 where: short stacking energy: -8.627 Base-Backbone interact. energy: -0.067 local terms energy: -18.360910 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -3.413 flat angles P-C4'-P energy: -3.305 tors. eta vs tors. theta energy: -0.134 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: 5 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -41.573921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.573921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.573921 (E_RNA) where: Base-Base interactions energy: -17.010 where: short stacking energy: -17.010 Base-Backbone interact. energy: -0.000 local terms energy: -24.564154 where: bonds (distance) C4'-P energy: -4.194 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -5.944 flat angles P-C4'-P energy: -3.321 tors. eta vs tors. theta energy: -5.572 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: 6 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -37.365716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.365716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.365716 (E_RNA) where: Base-Base interactions energy: -15.493 where: short stacking energy: -15.493 Base-Backbone interact. energy: -0.000 local terms energy: -21.872202 where: bonds (distance) C4'-P energy: -3.004 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -3.841 flat angles P-C4'-P energy: -5.131 tors. eta vs tors. theta energy: -4.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -36.779127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.779127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.779127 (E_RNA) where: Base-Base interactions energy: -14.802 where: short stacking energy: -14.802 Base-Backbone interact. energy: -0.001 local terms energy: -21.976695 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.832 flat angles P-C4'-P energy: -2.356 tors. eta vs tors. theta energy: -1.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -48.141563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.141563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.141563 (E_RNA) where: Base-Base interactions energy: -20.657 where: short stacking energy: -20.657 Base-Backbone interact. energy: -0.037 local terms energy: -27.447308 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -6.146 flat angles P-C4'-P energy: -4.495 tors. eta vs tors. theta energy: -4.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -48.373979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.373979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.373979 (E_RNA) where: Base-Base interactions energy: -25.493 where: short stacking energy: -15.193 Base-Backbone interact. energy: -0.050 local terms energy: -22.830427 where: bonds (distance) C4'-P energy: -4.106 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.575 flat angles P-C4'-P energy: -2.902 tors. eta vs tors. theta energy: -4.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -43.563520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.563520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.563520 (E_RNA) where: Base-Base interactions energy: -19.488 where: short stacking energy: -19.488 Base-Backbone interact. energy: -0.000 local terms energy: -24.075524 where: bonds (distance) C4'-P energy: -5.108 bonds (distance) P-C4' energy: -5.327 flat angles C4'-P-C4' energy: -4.961 flat angles P-C4'-P energy: -2.117 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: 4, replica: 7 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -44.627181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.627181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.627181 (E_RNA) where: Base-Base interactions energy: -23.178 where: short stacking energy: -11.785 Base-Backbone interact. energy: -0.002 local terms energy: -21.447934 where: bonds (distance) C4'-P energy: -2.944 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -5.924 flat angles P-C4'-P energy: -3.869 tors. eta vs tors. theta energy: -3.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -35.813804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.813804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.813804 (E_RNA) where: Base-Base interactions energy: -14.362 where: short stacking energy: -14.362 Base-Backbone interact. energy: -0.005 local terms energy: -21.447407 where: bonds (distance) C4'-P energy: -5.394 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -3.562 flat angles P-C4'-P energy: -3.626 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: 6, replica: 2 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -38.115220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.115220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.115220 (E_RNA) where: Base-Base interactions energy: -13.726 where: short stacking energy: -13.726 Base-Backbone interact. energy: -0.098 local terms energy: -24.290852 where: bonds (distance) C4'-P energy: -5.742 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.363 flat angles P-C4'-P energy: -4.503 tors. eta vs tors. theta energy: -1.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -37.841405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.841405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.841405 (E_RNA) where: Base-Base interactions energy: -14.355 where: short stacking energy: -9.389 Base-Backbone interact. energy: -0.040 local terms energy: -23.445868 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.298 flat angles P-C4'-P energy: -3.919 tors. eta vs tors. theta energy: -2.623 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: 6 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -35.038067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.038067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.038067 (E_RNA) where: Base-Base interactions energy: -14.236 where: short stacking energy: -12.234 Base-Backbone interact. energy: -0.000 local terms energy: -20.802281 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -3.085 flat angles C4'-P-C4' energy: -5.377 flat angles P-C4'-P energy: -4.568 tors. eta vs tors. theta energy: -2.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -36.878964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.878964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.878964 (E_RNA) where: Base-Base interactions energy: -15.195 where: short stacking energy: -15.195 Base-Backbone interact. energy: -0.000 local terms energy: -21.683936 where: bonds (distance) C4'-P energy: -3.998 bonds (distance) P-C4' energy: -4.850 flat angles C4'-P-C4' energy: -4.981 flat angles P-C4'-P energy: -1.118 tors. eta vs tors. theta energy: -6.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -30.788235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.788235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.788235 (E_RNA) where: Base-Base interactions energy: -6.933 where: short stacking energy: -4.889 Base-Backbone interact. energy: -0.491 local terms energy: -23.363950 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -4.963 flat angles P-C4'-P energy: -4.828 tors. eta vs tors. theta energy: -1.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -38.425060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.425060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.425060 (E_RNA) where: Base-Base interactions energy: -18.081 where: short stacking energy: -18.081 Base-Backbone interact. energy: -0.067 local terms energy: -20.277632 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -5.083 flat angles C4'-P-C4' energy: -6.292 flat angles P-C4'-P energy: -2.004 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: 2, replica: 3 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -50.095701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.095701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.095701 (E_RNA) where: Base-Base interactions energy: -25.975 where: short stacking energy: -12.888 Base-Backbone interact. energy: -0.488 local terms energy: -23.632641 where: bonds (distance) C4'-P energy: -4.985 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.248 flat angles P-C4'-P energy: -5.297 tors. eta vs tors. theta energy: -2.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -50.552630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.552630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.552630 (E_RNA) where: Base-Base interactions energy: -25.814 where: short stacking energy: -25.814 Base-Backbone interact. energy: -0.000 local terms energy: -24.738878 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -3.344 flat angles P-C4'-P energy: -4.030 tors. eta vs tors. theta energy: -5.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -41.741778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.741778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.741778 (E_RNA) where: Base-Base interactions energy: -18.892 where: short stacking energy: -18.892 Base-Backbone interact. energy: -0.000 local terms energy: -22.849307 where: bonds (distance) C4'-P energy: -4.802 bonds (distance) P-C4' energy: -5.107 flat angles C4'-P-C4' energy: -5.215 flat angles P-C4'-P energy: -2.446 tors. eta vs tors. theta energy: -5.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -45.362470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.362470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.362470 (E_RNA) where: Base-Base interactions energy: -20.142 where: short stacking energy: -14.423 Base-Backbone interact. energy: -0.000 local terms energy: -25.220226 where: bonds (distance) C4'-P energy: -3.944 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.249 flat angles P-C4'-P energy: -5.051 tors. eta vs tors. theta energy: -4.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -36.030513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.030513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.030513 (E_RNA) where: Base-Base interactions energy: -17.149 where: short stacking energy: -13.160 Base-Backbone interact. energy: -0.017 local terms energy: -18.864464 where: bonds (distance) C4'-P energy: -1.113 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -6.041 flat angles P-C4'-P energy: -2.825 tors. eta vs tors. theta energy: -2.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -48.247570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.247570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.247570 (E_RNA) where: Base-Base interactions energy: -21.438 where: short stacking energy: -21.438 Base-Backbone interact. energy: -0.000 local terms energy: -26.809768 where: bonds (distance) C4'-P energy: -5.277 bonds (distance) P-C4' energy: -5.187 flat angles C4'-P-C4' energy: -5.707 flat angles P-C4'-P energy: -4.802 tors. eta vs tors. theta energy: -5.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -41.610045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.610045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.610045 (E_RNA) where: Base-Base interactions energy: -19.380 where: short stacking energy: -19.380 Base-Backbone interact. energy: -0.004 local terms energy: -22.226526 where: bonds (distance) C4'-P energy: -2.835 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -6.674 flat angles P-C4'-P energy: -2.781 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: 9, replica: 1 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -32.258055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.258055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.258055 (E_RNA) where: Base-Base interactions energy: -12.855 where: short stacking energy: -12.855 Base-Backbone interact. energy: -0.000 local terms energy: -19.402374 where: bonds (distance) C4'-P energy: -2.499 bonds (distance) P-C4' energy: -5.469 flat angles C4'-P-C4' energy: -4.711 flat angles P-C4'-P energy: -3.595 tors. eta vs tors. theta energy: -3.129 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: 10, replica: 5 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -36.061904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.061904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.061904 (E_RNA) where: Base-Base interactions energy: -13.456 where: short stacking energy: -13.456 Base-Backbone interact. energy: -0.013 local terms energy: -22.592425 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -5.346 flat angles C4'-P-C4' energy: -6.538 flat angles P-C4'-P energy: -2.571 tors. eta vs tors. theta energy: -3.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -51.764768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.764768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.764768 (E_RNA) where: Base-Base interactions energy: -25.153 where: short stacking energy: -25.153 Base-Backbone interact. energy: -0.000 local terms energy: -26.611923 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -6.199 flat angles P-C4'-P energy: -4.792 tors. eta vs tors. theta energy: -4.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -44.968186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.968186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.968186 (E_RNA) where: Base-Base interactions energy: -21.637 where: short stacking energy: -20.136 Base-Backbone interact. energy: -0.819 local terms energy: -22.511988 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -6.203 flat angles C4'-P-C4' energy: -4.851 flat angles P-C4'-P energy: -3.216 tors. eta vs tors. theta energy: -2.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -49.921312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.921312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.921312 (E_RNA) where: Base-Base interactions energy: -22.400 where: short stacking energy: -20.059 Base-Backbone interact. energy: -0.001 local terms energy: -27.520546 where: bonds (distance) C4'-P energy: -5.617 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.304 flat angles P-C4'-P energy: -3.277 tors. eta vs tors. theta energy: -6.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -40.353973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.353973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.353973 (E_RNA) where: Base-Base interactions energy: -16.080 where: short stacking energy: -16.080 Base-Backbone interact. energy: -0.000 local terms energy: -24.273575 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.645 flat angles P-C4'-P energy: -3.640 tors. eta vs tors. theta energy: -2.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -36.045606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.045606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.045606 (E_RNA) where: Base-Base interactions energy: -15.974 where: short stacking energy: -10.995 Base-Backbone interact. energy: 0.666 local terms energy: -20.737431 where: bonds (distance) C4'-P energy: -5.403 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -5.649 flat angles P-C4'-P energy: -4.503 tors. eta vs tors. theta energy: 1.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -39.325385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.325385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.325385 (E_RNA) where: Base-Base interactions energy: -14.828 where: short stacking energy: -14.828 Base-Backbone interact. energy: -0.000 local terms energy: -24.497537 where: bonds (distance) C4'-P energy: -4.214 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -4.469 flat angles P-C4'-P energy: -5.060 tors. eta vs tors. theta energy: -4.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -38.533004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.533004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.533004 (E_RNA) where: Base-Base interactions energy: -16.141 where: short stacking energy: -16.141 Base-Backbone interact. energy: -0.000 local terms energy: -22.392082 where: bonds (distance) C4'-P energy: -3.017 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -5.374 flat angles P-C4'-P energy: -3.467 tors. eta vs tors. theta energy: -4.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -34.079927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.079927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.079927 (E_RNA) where: Base-Base interactions energy: -15.385 where: short stacking energy: -15.385 Base-Backbone interact. energy: -0.017 local terms energy: -18.677258 where: bonds (distance) C4'-P energy: -3.006 bonds (distance) P-C4' energy: -3.736 flat angles C4'-P-C4' energy: -5.926 flat angles P-C4'-P energy: -4.416 tors. eta vs tors. theta energy: -1.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -29.434326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.434326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.434326 (E_RNA) where: Base-Base interactions energy: -7.538 where: short stacking energy: -7.538 Base-Backbone interact. energy: -0.001 local terms energy: -21.895911 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -2.813 flat angles P-C4'-P energy: -4.398 tors. eta vs tors. theta energy: -2.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -32.944519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.944519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.944519 (E_RNA) where: Base-Base interactions energy: -17.724 where: short stacking energy: -6.352 Base-Backbone interact. energy: -0.026 local terms energy: -15.194579 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -3.747 flat angles C4'-P-C4' energy: -3.766 flat angles P-C4'-P energy: 1.048 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: 7 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -46.972999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.972999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.972999 (E_RNA) where: Base-Base interactions energy: -22.764 where: short stacking energy: -22.764 Base-Backbone interact. energy: -0.004 local terms energy: -24.205186 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -4.952 flat angles P-C4'-P energy: -3.772 tors. eta vs tors. theta energy: -4.800 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: 8 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -47.401962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.401962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.401962 (E_RNA) where: Base-Base interactions energy: -22.457 where: short stacking energy: -22.457 Base-Backbone interact. energy: -0.000 local terms energy: -24.945055 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -6.747 flat angles P-C4'-P energy: -3.955 tors. eta vs tors. theta energy: -3.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -44.866175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.866175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.866175 (E_RNA) where: Base-Base interactions energy: -19.093 where: short stacking energy: -19.093 Base-Backbone interact. energy: -0.000 local terms energy: -25.772821 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -6.037 flat angles P-C4'-P energy: -3.304 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: 4, replica: 3 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -43.743278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.743278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.743278 (E_RNA) where: Base-Base interactions energy: -18.216 where: short stacking energy: -18.216 Base-Backbone interact. energy: -0.000 local terms energy: -25.527429 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -4.921 flat angles P-C4'-P energy: -3.062 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: 5, replica: 4 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -36.821305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.821305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.821305 (E_RNA) where: Base-Base interactions energy: -17.517 where: short stacking energy: -12.677 Base-Backbone interact. energy: -0.014 local terms energy: -19.290786 where: bonds (distance) C4'-P energy: -4.993 bonds (distance) P-C4' energy: -4.290 flat angles C4'-P-C4' energy: -5.074 flat angles P-C4'-P energy: -4.507 tors. eta vs tors. theta energy: -0.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -38.979061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.979061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.979061 (E_RNA) where: Base-Base interactions energy: -20.897 where: short stacking energy: -7.502 Base-Backbone interact. energy: -0.012 local terms energy: -18.070008 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -3.268 flat angles P-C4'-P energy: -1.545 tors. eta vs tors. theta energy: 0.097 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: 1 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -37.313445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.313445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.313445 (E_RNA) where: Base-Base interactions energy: -12.106 where: short stacking energy: -12.106 Base-Backbone interact. energy: -0.001 local terms energy: -25.206787 where: bonds (distance) C4'-P energy: -4.619 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.920 flat angles P-C4'-P energy: -4.348 tors. eta vs tors. theta energy: -3.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -34.726275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.726275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.726275 (E_RNA) where: Base-Base interactions energy: -12.860 where: short stacking energy: -12.860 Base-Backbone interact. energy: -0.000 local terms energy: -21.865768 where: bonds (distance) C4'-P energy: -4.756 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -3.333 flat angles P-C4'-P energy: -3.030 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: 9, replica: 5 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -31.387170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.387170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.387170 (E_RNA) where: Base-Base interactions energy: -11.485 where: short stacking energy: -11.485 Base-Backbone interact. energy: -0.000 local terms energy: -19.902173 where: bonds (distance) C4'-P energy: -3.493 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -4.336 flat angles P-C4'-P energy: -3.886 tors. eta vs tors. theta energy: -1.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -32.151500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.151500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.151500 (E_RNA) where: Base-Base interactions energy: -14.095 where: short stacking energy: -14.095 Base-Backbone interact. energy: -0.000 local terms energy: -18.056223 where: bonds (distance) C4'-P energy: -4.743 bonds (distance) P-C4' energy: -3.420 flat angles C4'-P-C4' energy: -3.085 flat angles P-C4'-P energy: -4.386 tors. eta vs tors. theta energy: -2.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -54.948719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.948719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.948719 (E_RNA) where: Base-Base interactions energy: -26.766 where: short stacking energy: -26.766 Base-Backbone interact. energy: -0.000 local terms energy: -28.183002 where: bonds (distance) C4'-P energy: -4.797 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -6.200 flat angles P-C4'-P energy: -4.189 tors. eta vs tors. theta energy: -7.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -50.992257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.992257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.992257 (E_RNA) where: Base-Base interactions energy: -22.679 where: short stacking energy: -22.679 Base-Backbone interact. energy: -0.000 local terms energy: -28.312890 where: bonds (distance) C4'-P energy: -4.864 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -6.490 flat angles P-C4'-P energy: -3.901 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: 3, replica: 8 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -50.556328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.556328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.556328 (E_RNA) where: Base-Base interactions energy: -26.154 where: short stacking energy: -20.025 Base-Backbone interact. energy: -0.063 local terms energy: -24.338559 where: bonds (distance) C4'-P energy: -4.247 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -5.433 flat angles P-C4'-P energy: -2.774 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: 4, replica: 3 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -41.520323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.520323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.520323 (E_RNA) where: Base-Base interactions energy: -19.635 where: short stacking energy: -19.635 Base-Backbone interact. energy: -0.000 local terms energy: -21.884999 where: bonds (distance) C4'-P energy: -2.740 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -2.424 flat angles P-C4'-P energy: -4.817 tors. eta vs tors. theta energy: -5.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -40.216756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.216756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.216756 (E_RNA) where: Base-Base interactions energy: -16.522 where: short stacking energy: -12.095 Base-Backbone interact. energy: -0.002 local terms energy: -23.693337 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -5.785 flat angles P-C4'-P energy: -4.148 tors. eta vs tors. theta energy: -2.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -39.474328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.474328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.474328 (E_RNA) where: Base-Base interactions energy: -15.228 where: short stacking energy: -15.228 Base-Backbone interact. energy: -0.010 local terms energy: -24.236824 where: bonds (distance) C4'-P energy: -3.026 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.831 flat angles P-C4'-P energy: -5.601 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: 7, replica: 2 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -43.118115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.118115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.118115 (E_RNA) where: Base-Base interactions energy: -17.959 where: short stacking energy: -17.959 Base-Backbone interact. energy: -0.000 local terms energy: -25.159177 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.492 flat angles P-C4'-P energy: -2.883 tors. eta vs tors. theta energy: -4.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -34.652457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.652457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.652457 (E_RNA) where: Base-Base interactions energy: -17.151 where: short stacking energy: -17.151 Base-Backbone interact. energy: -0.001 local terms energy: -17.500319 where: bonds (distance) C4'-P energy: -2.731 bonds (distance) P-C4' energy: -6.129 flat angles C4'-P-C4' energy: -2.904 flat angles P-C4'-P energy: -1.137 tors. eta vs tors. theta energy: -4.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -37.970215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.970215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.970215 (E_RNA) where: Base-Base interactions energy: -16.081 where: short stacking energy: -15.029 Base-Backbone interact. energy: -0.006 local terms energy: -21.883262 where: bonds (distance) C4'-P energy: -3.559 bonds (distance) P-C4' energy: -5.153 flat angles C4'-P-C4' energy: -5.715 flat angles P-C4'-P energy: -2.076 tors. eta vs tors. theta energy: -5.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -32.728655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.728655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.728655 (E_RNA) where: Base-Base interactions energy: -11.336 where: short stacking energy: -11.336 Base-Backbone interact. energy: -0.001 local terms energy: -21.391355 where: bonds (distance) C4'-P energy: -5.252 bonds (distance) P-C4' energy: -5.506 flat angles C4'-P-C4' energy: -4.903 flat angles P-C4'-P energy: -4.019 tors. eta vs tors. theta energy: -1.712 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: 10 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -51.402193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.402193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.402193 (E_RNA) where: Base-Base interactions energy: -24.716 where: short stacking energy: -24.716 Base-Backbone interact. energy: -0.000 local terms energy: -26.686472 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -5.539 flat angles P-C4'-P energy: -4.033 tors. eta vs tors. theta energy: -5.075 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: 2, replica: 7 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -52.884808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.884808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.884808 (E_RNA) where: Base-Base interactions energy: -28.231 where: short stacking energy: -19.083 Base-Backbone interact. energy: -0.104 local terms energy: -24.550505 where: bonds (distance) C4'-P energy: -4.078 bonds (distance) P-C4' energy: -5.576 flat angles C4'-P-C4' energy: -5.395 flat angles P-C4'-P energy: -5.131 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: 3, replica: 3 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -35.540771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.540771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.540771 (E_RNA) where: Base-Base interactions energy: -18.150 where: short stacking energy: -14.065 Base-Backbone interact. energy: -0.003 local terms energy: -17.387728 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -4.646 flat angles P-C4'-P energy: -2.611 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: 4, replica: 8 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -41.769643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.769643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.769643 (E_RNA) where: Base-Base interactions energy: -14.597 where: short stacking energy: -14.597 Base-Backbone interact. energy: -0.000 local terms energy: -27.172923 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -5.448 flat angles P-C4'-P energy: -5.185 tors. eta vs tors. theta energy: -3.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -37.877370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.877370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.877370 (E_RNA) where: Base-Base interactions energy: -13.876 where: short stacking energy: -13.876 Base-Backbone interact. energy: -0.000 local terms energy: -24.001032 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.727 flat angles P-C4'-P energy: -3.504 tors. eta vs tors. theta energy: -3.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -42.365304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.365304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.365304 (E_RNA) where: Base-Base interactions energy: -20.883 where: short stacking energy: -20.883 Base-Backbone interact. energy: -0.000 local terms energy: -21.481700 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -4.400 flat angles C4'-P-C4' energy: -4.826 flat angles P-C4'-P energy: -3.335 tors. eta vs tors. theta energy: -2.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -41.195451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.195451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.195451 (E_RNA) where: Base-Base interactions energy: -15.466 where: short stacking energy: -15.466 Base-Backbone interact. energy: -0.005 local terms energy: -25.724139 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.854 flat angles P-C4'-P energy: -4.359 tors. eta vs tors. theta energy: -1.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -33.940724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.940724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.940724 (E_RNA) where: Base-Base interactions energy: -14.292 where: short stacking energy: -13.070 Base-Backbone interact. energy: -0.021 local terms energy: -19.627090 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -2.204 flat angles P-C4'-P energy: -3.498 tors. eta vs tors. theta energy: -1.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -35.170144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.170144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.170144 (E_RNA) where: Base-Base interactions energy: -16.806 where: short stacking energy: -8.928 Base-Backbone interact. energy: -0.163 local terms energy: -18.200718 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -4.816 flat angles P-C4'-P energy: -3.145 tors. eta vs tors. theta energy: 0.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -35.819238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.819238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.819238 (E_RNA) where: Base-Base interactions energy: -15.407 where: short stacking energy: -15.407 Base-Backbone interact. energy: -0.010 local terms energy: -20.403133 where: bonds (distance) C4'-P energy: -3.875 bonds (distance) P-C4' energy: -5.896 flat angles C4'-P-C4' energy: -4.097 flat angles P-C4'-P energy: -1.887 tors. eta vs tors. theta energy: -4.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -44.519738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.519738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.519738 (E_RNA) where: Base-Base interactions energy: -19.478 where: short stacking energy: -19.440 Base-Backbone interact. energy: -0.000 local terms energy: -25.041645 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.750 flat angles P-C4'-P energy: -3.229 tors. eta vs tors. theta energy: -3.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -54.139158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.139158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.139158 (E_RNA) where: Base-Base interactions energy: -27.502 where: short stacking energy: -21.128 Base-Backbone interact. energy: -0.002 local terms energy: -26.635038 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -6.151 flat angles P-C4'-P energy: -3.744 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: 3, replica: 3 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -46.061914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.061914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.061914 (E_RNA) where: Base-Base interactions energy: -23.402 where: short stacking energy: -15.046 Base-Backbone interact. energy: -0.094 local terms energy: -22.565714 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.370 flat angles P-C4'-P energy: -3.467 tors. eta vs tors. theta energy: -2.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -39.858619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.858619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.858619 (E_RNA) where: Base-Base interactions energy: -16.133 where: short stacking energy: -16.133 Base-Backbone interact. energy: -0.279 local terms energy: -23.447085 where: bonds (distance) C4'-P energy: -4.268 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -3.865 flat angles P-C4'-P energy: -4.936 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: 5, replica: 8 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -38.829881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.829881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.829881 (E_RNA) where: Base-Base interactions energy: -14.768 where: short stacking energy: -14.768 Base-Backbone interact. energy: -0.000 local terms energy: -24.061849 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.125 flat angles C4'-P-C4' energy: -4.952 flat angles P-C4'-P energy: -5.182 tors. eta vs tors. theta energy: -2.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -41.519147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.519147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.519147 (E_RNA) where: Base-Base interactions energy: -16.259 where: short stacking energy: -16.259 Base-Backbone interact. energy: -0.007 local terms energy: -25.253360 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.886 flat angles P-C4'-P energy: -3.927 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: 7, replica: 4 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -37.727971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.727971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.727971 (E_RNA) where: Base-Base interactions energy: -17.607 where: short stacking energy: -8.057 Base-Backbone interact. energy: -0.003 local terms energy: -20.117330 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.297 flat angles P-C4'-P energy: -2.241 tors. eta vs tors. theta energy: -2.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -34.672822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.672822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.672822 (E_RNA) where: Base-Base interactions energy: -14.010 where: short stacking energy: -14.010 Base-Backbone interact. energy: -0.011 local terms energy: -20.651869 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -4.910 flat angles C4'-P-C4' energy: -4.662 flat angles P-C4'-P energy: -4.114 tors. eta vs tors. theta energy: -1.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -31.117341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.117341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.117341 (E_RNA) where: Base-Base interactions energy: -6.126 where: short stacking energy: -6.126 Base-Backbone interact. energy: -0.007 local terms energy: -24.984613 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -6.889 flat angles C4'-P-C4' energy: -5.529 flat angles P-C4'-P energy: -4.304 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: 10, replica: 9 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -34.191598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.191598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.191598 (E_RNA) where: Base-Base interactions energy: -13.637 where: short stacking energy: -13.637 Base-Backbone interact. energy: -0.000 local terms energy: -20.554359 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -4.622 flat angles C4'-P-C4' energy: -4.078 flat angles P-C4'-P energy: -3.487 tors. eta vs tors. theta energy: -2.883 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: 7 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -49.974459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.974459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.974459 (E_RNA) where: Base-Base interactions energy: -22.145 where: short stacking energy: -22.145 Base-Backbone interact. energy: -0.000 local terms energy: -27.829246 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.654 flat angles P-C4'-P energy: -4.284 tors. eta vs tors. theta energy: -5.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -55.271142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.271142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.271142 (E_RNA) where: Base-Base interactions energy: -24.395 where: short stacking energy: -24.395 Base-Backbone interact. energy: -0.000 local terms energy: -30.876592 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -6.067 flat angles P-C4'-P energy: -4.559 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: 3, replica: 1 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -50.114932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.114932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.114932 (E_RNA) where: Base-Base interactions energy: -23.510 where: short stacking energy: -23.510 Base-Backbone interact. energy: -0.000 local terms energy: -26.604690 where: bonds (distance) C4'-P energy: -4.525 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -5.080 flat angles P-C4'-P energy: -3.079 tors. eta vs tors. theta energy: -7.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -45.171159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.171159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.171159 (E_RNA) where: Base-Base interactions energy: -20.374 where: short stacking energy: -19.189 Base-Backbone interact. energy: -0.015 local terms energy: -24.782651 where: bonds (distance) C4'-P energy: -5.179 bonds (distance) P-C4' energy: -3.727 flat angles C4'-P-C4' energy: -5.876 flat angles P-C4'-P energy: -5.231 tors. eta vs tors. theta energy: -4.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -39.333848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.333848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.333848 (E_RNA) where: Base-Base interactions energy: -16.391 where: short stacking energy: -16.391 Base-Backbone interact. energy: -0.001 local terms energy: -22.941892 where: bonds (distance) C4'-P energy: -4.292 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.791 flat angles P-C4'-P energy: -2.366 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: 6, replica: 8 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -45.952894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.952894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.952894 (E_RNA) where: Base-Base interactions energy: -19.539 where: short stacking energy: -19.539 Base-Backbone interact. energy: -0.000 local terms energy: -26.414274 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -4.958 flat angles P-C4'-P energy: -5.099 tors. eta vs tors. theta energy: -5.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -39.416419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.416419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.416419 (E_RNA) where: Base-Base interactions energy: -17.631 where: short stacking energy: -17.631 Base-Backbone interact. energy: -0.000 local terms energy: -21.785446 where: bonds (distance) C4'-P energy: -1.789 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -4.000 flat angles P-C4'-P energy: -3.999 tors. eta vs tors. theta energy: -5.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -34.692004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.692004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.692004 (E_RNA) where: Base-Base interactions energy: -10.817 where: short stacking energy: -10.817 Base-Backbone interact. energy: -0.002 local terms energy: -23.872151 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -4.659 flat angles C4'-P-C4' energy: -5.789 flat angles P-C4'-P energy: -3.455 tors. eta vs tors. theta energy: -4.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -28.197017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.197017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.197017 (E_RNA) where: Base-Base interactions energy: -8.625 where: short stacking energy: -8.351 Base-Backbone interact. energy: -0.503 local terms energy: -19.068738 where: bonds (distance) C4'-P energy: -0.272 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.059 flat angles P-C4'-P energy: -5.374 tors. eta vs tors. theta energy: -2.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -40.283530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.283530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.283530 (E_RNA) where: Base-Base interactions energy: -14.093 where: short stacking energy: -14.093 Base-Backbone interact. energy: -0.000 local terms energy: -26.190086 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.315 flat angles P-C4'-P energy: -4.124 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: 1, replica: 7 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -58.134456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.134456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.134456 (E_RNA) where: Base-Base interactions energy: -37.703 where: short stacking energy: -18.020 Base-Backbone interact. energy: -0.002 local terms energy: -20.429541 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -4.286 flat angles P-C4'-P energy: -0.206 tors. eta vs tors. theta energy: -3.522 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: 1 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -50.226544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.226544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.226544 (E_RNA) where: Base-Base interactions energy: -20.827 where: short stacking energy: -20.827 Base-Backbone interact. energy: -0.003 local terms energy: -29.396178 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -6.220 flat angles P-C4'-P energy: -5.068 tors. eta vs tors. theta energy: -6.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -46.866468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.866468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.866468 (E_RNA) where: Base-Base interactions energy: -24.073 where: short stacking energy: -8.914 Base-Backbone interact. energy: -0.048 local terms energy: -22.745878 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -6.412 flat angles P-C4'-P energy: -4.319 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: 4, replica: 5 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -35.467569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.467569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.467569 (E_RNA) where: Base-Base interactions energy: -14.519 where: short stacking energy: -14.519 Base-Backbone interact. energy: -0.006 local terms energy: -20.942900 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -4.666 flat angles C4'-P-C4' energy: -6.435 flat angles P-C4'-P energy: -4.250 tors. eta vs tors. theta energy: 0.531 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: 117 Temperature: 1.100000 Total energy: -38.442369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.442369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.442369 (E_RNA) where: Base-Base interactions energy: -14.344 where: short stacking energy: -14.344 Base-Backbone interact. energy: -0.000 local terms energy: -24.098430 where: bonds (distance) C4'-P energy: -3.199 bonds (distance) P-C4' energy: -4.910 flat angles C4'-P-C4' energy: -6.268 flat angles P-C4'-P energy: -4.457 tors. eta vs tors. theta energy: -5.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -35.267840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.267840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.267840 (E_RNA) where: Base-Base interactions energy: -12.610 where: short stacking energy: -4.818 Base-Backbone interact. energy: 0.200 local terms energy: -22.857774 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -5.340 flat angles P-C4'-P energy: -3.611 tors. eta vs tors. theta energy: -1.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -34.014290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.014290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.014290 (E_RNA) where: Base-Base interactions energy: -11.591 where: short stacking energy: -11.591 Base-Backbone interact. energy: -0.025 local terms energy: -22.398454 where: bonds (distance) C4'-P energy: -5.373 bonds (distance) P-C4' energy: -5.417 flat angles C4'-P-C4' energy: -5.989 flat angles P-C4'-P energy: -3.955 tors. eta vs tors. theta energy: -1.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -36.621647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.621647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.621647 (E_RNA) where: Base-Base interactions energy: -10.991 where: short stacking energy: -10.991 Base-Backbone interact. energy: -0.073 local terms energy: -25.557697 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -6.745 flat angles P-C4'-P energy: -4.925 tors. eta vs tors. theta energy: -1.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -30.869904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.869904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.869904 (E_RNA) where: Base-Base interactions energy: -9.399 where: short stacking energy: -9.399 Base-Backbone interact. energy: -0.077 local terms energy: -21.393463 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -3.000 flat angles C4'-P-C4' energy: -6.155 flat angles P-C4'-P energy: -3.203 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: 10, replica: 2 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -33.217435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.217435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.217435 (E_RNA) where: Base-Base interactions energy: -10.234 where: short stacking energy: -10.234 Base-Backbone interact. energy: -0.000 local terms energy: -22.983427 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -3.734 flat angles P-C4'-P energy: -3.470 tors. eta vs tors. theta energy: -3.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -51.385057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.385057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.385057 (E_RNA) where: Base-Base interactions energy: -23.123 where: short stacking energy: -17.914 Base-Backbone interact. energy: -0.000 local terms energy: -28.261890 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.656 flat angles P-C4'-P energy: -3.471 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: 2, replica: 7 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -39.393927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.393927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.393927 (E_RNA) where: Base-Base interactions energy: -14.594 where: short stacking energy: -14.594 Base-Backbone interact. energy: -0.001 local terms energy: -24.799398 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -6.499 flat angles P-C4'-P energy: -5.366 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: 3, replica: 10 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -46.823571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.823571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.823571 (E_RNA) where: Base-Base interactions energy: -21.594 where: short stacking energy: -21.594 Base-Backbone interact. energy: -0.000 local terms energy: -25.229579 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -4.132 flat angles C4'-P-C4' energy: -4.869 flat angles P-C4'-P energy: -5.089 tors. eta vs tors. theta energy: -5.312 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: 118 Temperature: 1.050000 Total energy: -42.221229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.221229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.221229 (E_RNA) where: Base-Base interactions energy: -20.345 where: short stacking energy: -9.808 Base-Backbone interact. energy: -0.045 local terms energy: -21.831564 where: bonds (distance) C4'-P energy: -2.499 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -5.953 flat angles P-C4'-P energy: -4.712 tors. eta vs tors. theta energy: -2.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -41.559854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.559854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.559854 (E_RNA) where: Base-Base interactions energy: -18.096 where: short stacking energy: -15.167 Base-Backbone interact. energy: -0.004 local terms energy: -23.459784 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -5.153 flat angles C4'-P-C4' energy: -5.573 flat angles P-C4'-P energy: -4.511 tors. eta vs tors. theta energy: -2.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -36.267649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.267649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.267649 (E_RNA) where: Base-Base interactions energy: -12.356 where: short stacking energy: -12.356 Base-Backbone interact. energy: -0.000 local terms energy: -23.911719 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.374 flat angles C4'-P-C4' energy: -5.445 flat angles P-C4'-P energy: -4.591 tors. eta vs tors. theta energy: -2.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -34.420011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.420011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.420011 (E_RNA) where: Base-Base interactions energy: -12.315 where: short stacking energy: -12.315 Base-Backbone interact. energy: -0.050 local terms energy: -22.055212 where: bonds (distance) C4'-P energy: -4.541 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -6.045 flat angles P-C4'-P energy: -4.016 tors. eta vs tors. theta energy: -1.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -34.824056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.824056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.824056 (E_RNA) where: Base-Base interactions energy: -13.731 where: short stacking energy: -9.520 Base-Backbone interact. energy: -0.032 local terms energy: -21.060926 where: bonds (distance) C4'-P energy: -3.316 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.244 flat angles P-C4'-P energy: -3.369 tors. eta vs tors. theta energy: -2.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -31.338975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.338975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.338975 (E_RNA) where: Base-Base interactions energy: -11.653 where: short stacking energy: -11.653 Base-Backbone interact. energy: -0.000 local terms energy: -19.685665 where: bonds (distance) C4'-P energy: -3.498 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -4.329 flat angles P-C4'-P energy: -3.194 tors. eta vs tors. theta energy: -3.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -36.155139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.155139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.155139 (E_RNA) where: Base-Base interactions energy: -15.034 where: short stacking energy: -12.931 Base-Backbone interact. energy: 0.296 local terms energy: -21.417506 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -3.353 flat angles P-C4'-P energy: -3.742 tors. eta vs tors. theta energy: -2.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -51.641240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.641240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.641240 (E_RNA) where: Base-Base interactions energy: -23.092 where: short stacking energy: -23.092 Base-Backbone interact. energy: -0.000 local terms energy: -28.549626 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -6.655 flat angles P-C4'-P energy: -3.552 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: 2, replica: 10 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -49.240729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.240729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.240729 (E_RNA) where: Base-Base interactions energy: -23.400 where: short stacking energy: -23.400 Base-Backbone interact. energy: -0.000 local terms energy: -25.840121 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.313 flat angles P-C4'-P energy: -2.674 tors. eta vs tors. theta energy: -7.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -38.046352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.046352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.046352 (E_RNA) where: Base-Base interactions energy: -17.845 where: short stacking energy: -17.286 Base-Backbone interact. energy: -0.018 local terms energy: -20.183467 where: bonds (distance) C4'-P energy: -3.593 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -3.745 flat angles P-C4'-P energy: -3.541 tors. eta vs tors. theta energy: -2.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -53.867617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.867617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.867617 (E_RNA) where: Base-Base interactions energy: -23.842 where: short stacking energy: -23.842 Base-Backbone interact. energy: -0.000 local terms energy: -30.025486 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.067 flat angles P-C4'-P energy: -4.438 tors. eta vs tors. theta energy: -7.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -41.938502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.938502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.938502 (E_RNA) where: Base-Base interactions energy: -18.227 where: short stacking energy: -18.227 Base-Backbone interact. energy: -0.007 local terms energy: -23.705376 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -3.026 flat angles P-C4'-P energy: -3.664 tors. eta vs tors. theta energy: -4.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -37.161247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.161247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.161247 (E_RNA) where: Base-Base interactions energy: -16.873 where: short stacking energy: -16.165 Base-Backbone interact. energy: -0.000 local terms energy: -20.287971 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -1.281 flat angles P-C4'-P energy: -5.278 tors. eta vs tors. theta energy: -1.869 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: 3 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -43.236370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.236370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.236370 (E_RNA) where: Base-Base interactions energy: -19.966 where: short stacking energy: -12.682 Base-Backbone interact. energy: -0.039 local terms energy: -23.230909 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -4.870 flat angles C4'-P-C4' energy: -5.138 flat angles P-C4'-P energy: -4.597 tors. eta vs tors. theta energy: -2.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -37.831237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.831237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.831237 (E_RNA) where: Base-Base interactions energy: -16.669 where: short stacking energy: -14.400 Base-Backbone interact. energy: -0.032 local terms energy: -21.130369 where: bonds (distance) C4'-P energy: -2.810 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.300 flat angles P-C4'-P energy: -4.538 tors. eta vs tors. theta energy: -1.581 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: 119 Temperature: 1.300000 Total energy: -37.754699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.754699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.754699 (E_RNA) where: Base-Base interactions energy: -21.025 where: short stacking energy: -11.476 Base-Backbone interact. energy: -0.075 local terms energy: -16.655104 where: bonds (distance) C4'-P energy: -4.313 bonds (distance) P-C4' energy: -5.579 flat angles C4'-P-C4' energy: -3.851 flat angles P-C4'-P energy: -1.323 tors. eta vs tors. theta energy: -1.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -28.389062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.389062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.389062 (E_RNA) where: Base-Base interactions energy: -10.538 where: short stacking energy: -6.070 Base-Backbone interact. energy: -0.060 local terms energy: -17.791285 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -5.150 flat angles C4'-P-C4' energy: -4.225 flat angles P-C4'-P energy: -3.362 tors. eta vs tors. theta energy: 0.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -49.767658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.767658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.767658 (E_RNA) where: Base-Base interactions energy: -20.115 where: short stacking energy: -20.115 Base-Backbone interact. energy: -0.000 local terms energy: -29.652933 where: bonds (distance) C4'-P energy: -6.176 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.262 flat angles P-C4'-P energy: -5.059 tors. eta vs tors. theta energy: -6.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -52.974939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.974939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.974939 (E_RNA) where: Base-Base interactions energy: -23.501 where: short stacking energy: -23.501 Base-Backbone interact. energy: -0.000 local terms energy: -29.474346 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -6.104 flat angles C4'-P-C4' energy: -6.781 flat angles P-C4'-P energy: -4.624 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: 3, replica: 8 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -48.392640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.392640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.392640 (E_RNA) where: Base-Base interactions energy: -21.292 where: short stacking energy: -21.292 Base-Backbone interact. energy: -0.015 local terms energy: -27.085960 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -4.726 flat angles P-C4'-P energy: -3.776 tors. eta vs tors. theta energy: -5.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -42.296486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.296486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.296486 (E_RNA) where: Base-Base interactions energy: -24.062 where: short stacking energy: -8.685 Base-Backbone interact. energy: -0.227 local terms energy: -18.008253 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -3.945 flat angles P-C4'-P energy: -4.139 tors. eta vs tors. theta energy: 1.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -43.765905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.765905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.765905 (E_RNA) where: Base-Base interactions energy: -18.869 where: short stacking energy: -18.869 Base-Backbone interact. energy: -0.048 local terms energy: -24.849183 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -5.728 flat angles P-C4'-P energy: -3.231 tors. eta vs tors. theta energy: -3.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -38.578908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.578908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.578908 (E_RNA) where: Base-Base interactions energy: -20.399 where: short stacking energy: -11.181 Base-Backbone interact. energy: -0.631 local terms energy: -17.548720 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -4.788 flat angles C4'-P-C4' energy: -5.465 flat angles P-C4'-P energy: -3.267 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: 7, replica: 3 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -40.931126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.931126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.931126 (E_RNA) where: Base-Base interactions energy: -22.290 where: short stacking energy: -10.416 Base-Backbone interact. energy: -0.086 local terms energy: -18.555071 where: bonds (distance) C4'-P energy: -3.395 bonds (distance) P-C4' energy: -4.086 flat angles C4'-P-C4' energy: -5.811 flat angles P-C4'-P energy: -4.362 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: 8, replica: 2 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -36.743572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.743572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.743572 (E_RNA) where: Base-Base interactions energy: -13.428 where: short stacking energy: -13.428 Base-Backbone interact. energy: -0.000 local terms energy: -23.315610 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -4.505 flat angles P-C4'-P energy: -4.793 tors. eta vs tors. theta energy: -2.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -38.958735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.958735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.958735 (E_RNA) where: Base-Base interactions energy: -12.736 where: short stacking energy: -12.736 Base-Backbone interact. energy: -0.045 local terms energy: -26.177651 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -5.798 flat angles P-C4'-P energy: -5.231 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: 10, replica: 9 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -35.354525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.354525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.354525 (E_RNA) where: Base-Base interactions energy: -10.341 where: short stacking energy: -10.341 Base-Backbone interact. energy: -0.000 local terms energy: -25.013351 where: bonds (distance) C4'-P energy: -4.082 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -4.101 flat angles P-C4'-P energy: -4.667 tors. eta vs tors. theta energy: -5.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -54.581911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.581911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.581911 (E_RNA) where: Base-Base interactions energy: -28.566 where: short stacking energy: -18.462 Base-Backbone interact. energy: -0.000 local terms energy: -26.016064 where: bonds (distance) C4'-P energy: -4.474 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.657 flat angles P-C4'-P energy: -3.280 tors. eta vs tors. theta energy: -5.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -48.792909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.792909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.792909 (E_RNA) where: Base-Base interactions energy: -19.471 where: short stacking energy: -19.471 Base-Backbone interact. energy: -0.000 local terms energy: -29.321756 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.139 flat angles P-C4'-P energy: -4.141 tors. eta vs tors. theta energy: -6.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -41.833956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.833956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.833956 (E_RNA) where: Base-Base interactions energy: -20.507 where: short stacking energy: -16.662 Base-Backbone interact. energy: -0.491 local terms energy: -20.835660 where: bonds (distance) C4'-P energy: -4.222 bonds (distance) P-C4' energy: -5.864 flat angles C4'-P-C4' energy: -5.192 flat angles P-C4'-P energy: -3.158 tors. eta vs tors. theta energy: -2.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -41.506633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.506633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.506633 (E_RNA) where: Base-Base interactions energy: -18.549 where: short stacking energy: -12.373 Base-Backbone interact. energy: -0.002 local terms energy: -22.954855 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.203 flat angles C4'-P-C4' energy: -3.272 flat angles P-C4'-P energy: -3.116 tors. eta vs tors. theta energy: -4.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -47.201697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.201697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.201697 (E_RNA) where: Base-Base interactions energy: -35.281 where: short stacking energy: -9.781 Base-Backbone interact. energy: -0.663 local terms energy: -11.257839 where: bonds (distance) C4'-P energy: -3.411 bonds (distance) P-C4' energy: -2.461 flat angles C4'-P-C4' energy: -5.542 flat angles P-C4'-P energy: 0.092 tors. eta vs tors. theta energy: 0.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -33.863636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.863636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.863636 (E_RNA) where: Base-Base interactions energy: -9.942 where: short stacking energy: -9.942 Base-Backbone interact. energy: -0.004 local terms energy: -23.917542 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.360 flat angles P-C4'-P energy: -4.706 tors. eta vs tors. theta energy: -2.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -40.600397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.600397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.600397 (E_RNA) where: Base-Base interactions energy: -17.998 where: short stacking energy: -17.998 Base-Backbone interact. energy: -0.086 local terms energy: -22.516354 where: bonds (distance) C4'-P energy: -2.927 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.575 flat angles P-C4'-P energy: -4.907 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: 4 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -41.035624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.035624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.035624 (E_RNA) where: Base-Base interactions energy: -18.401 where: short stacking energy: -18.401 Base-Backbone interact. energy: -0.000 local terms energy: -22.634989 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -5.812 flat angles P-C4'-P energy: -2.241 tors. eta vs tors. theta energy: -4.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -41.008787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.008787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.008787 (E_RNA) where: Base-Base interactions energy: -16.485 where: short stacking energy: -16.485 Base-Backbone interact. energy: -0.003 local terms energy: -24.520788 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.517 flat angles P-C4'-P energy: -4.295 tors. eta vs tors. theta energy: -3.221 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: 121 Temperature: 1.350000 Total energy: -34.700678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.700678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.700678 (E_RNA) where: Base-Base interactions energy: -12.609 where: short stacking energy: -12.609 Base-Backbone interact. energy: -0.335 local terms energy: -21.756466 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -2.567 flat angles P-C4'-P energy: -3.272 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: 8 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -50.714771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.714771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.714771 (E_RNA) where: Base-Base interactions energy: -24.618 where: short stacking energy: -24.618 Base-Backbone interact. energy: -0.000 local terms energy: -26.096898 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.588 flat angles C4'-P-C4' energy: -5.138 flat angles P-C4'-P energy: -3.849 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: 2, replica: 1 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -50.182172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.182172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.182172 (E_RNA) where: Base-Base interactions energy: -23.396 where: short stacking energy: -23.396 Base-Backbone interact. energy: -0.000 local terms energy: -26.786597 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -4.967 flat angles P-C4'-P energy: -4.319 tors. eta vs tors. theta energy: -5.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -50.476452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.476452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.476452 (E_RNA) where: Base-Base interactions energy: -22.401 where: short stacking energy: -22.401 Base-Backbone interact. energy: -0.000 local terms energy: -28.075740 where: bonds (distance) C4'-P energy: -5.252 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.432 flat angles P-C4'-P energy: -4.827 tors. eta vs tors. theta energy: -6.577 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: 10 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -39.370684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.370684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.370684 (E_RNA) where: Base-Base interactions energy: -15.730 where: short stacking energy: -15.730 Base-Backbone interact. energy: -0.000 local terms energy: -23.641081 where: bonds (distance) C4'-P energy: -4.409 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.395 flat angles P-C4'-P energy: -3.974 tors. eta vs tors. theta energy: -3.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -40.964795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.964795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.964795 (E_RNA) where: Base-Base interactions energy: -16.899 where: short stacking energy: -16.899 Base-Backbone interact. energy: -0.000 local terms energy: -24.065302 where: bonds (distance) C4'-P energy: -4.532 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.019 flat angles P-C4'-P energy: -4.587 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: 6, replica: 7 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -38.954737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.954737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.954737 (E_RNA) where: Base-Base interactions energy: -14.437 where: short stacking energy: -14.437 Base-Backbone interact. energy: -0.029 local terms energy: -24.488998 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -5.861 flat angles C4'-P-C4' energy: -5.239 flat angles P-C4'-P energy: -2.955 tors. eta vs tors. theta energy: -4.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -37.885957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.885957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.885957 (E_RNA) where: Base-Base interactions energy: -17.809 where: short stacking energy: -17.809 Base-Backbone interact. energy: -0.001 local terms energy: -20.075630 where: bonds (distance) C4'-P energy: -4.823 bonds (distance) P-C4' energy: -5.604 flat angles C4'-P-C4' energy: -3.493 flat angles P-C4'-P energy: -4.645 tors. eta vs tors. theta energy: -1.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -37.203271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.203271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.203271 (E_RNA) where: Base-Base interactions energy: -12.665 where: short stacking energy: -12.665 Base-Backbone interact. energy: -0.002 local terms energy: -24.536583 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -6.013 flat angles P-C4'-P energy: -2.815 tors. eta vs tors. theta energy: -3.925 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: 9 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -33.934966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.934966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.934966 (E_RNA) where: Base-Base interactions energy: -13.828 where: short stacking energy: -13.828 Base-Backbone interact. energy: -0.098 local terms energy: -20.008672 where: bonds (distance) C4'-P energy: -5.096 bonds (distance) P-C4' energy: -5.435 flat angles C4'-P-C4' energy: -6.584 flat angles P-C4'-P energy: -1.810 tors. eta vs tors. theta energy: -1.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -36.662547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.662547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.662547 (E_RNA) where: Base-Base interactions energy: -17.030 where: short stacking energy: -17.030 Base-Backbone interact. energy: -0.032 local terms energy: -19.600622 where: bonds (distance) C4'-P energy: -3.555 bonds (distance) P-C4' energy: -3.715 flat angles C4'-P-C4' energy: -5.582 flat angles P-C4'-P energy: -1.871 tors. eta vs tors. theta energy: -4.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -42.316126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.316126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.316126 (E_RNA) where: Base-Base interactions energy: -18.265 where: short stacking energy: -18.265 Base-Backbone interact. energy: -0.001 local terms energy: -24.049649 where: bonds (distance) C4'-P energy: -4.098 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -6.113 flat angles P-C4'-P energy: -4.126 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: 2, replica: 6 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -51.637974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.637974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.637974 (E_RNA) where: Base-Base interactions energy: -23.192 where: short stacking energy: -23.192 Base-Backbone interact. energy: -0.000 local terms energy: -28.445808 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.981 flat angles P-C4'-P energy: -4.820 tors. eta vs tors. theta energy: -5.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -47.859748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.859748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.859748 (E_RNA) where: Base-Base interactions energy: -25.207 where: short stacking energy: -12.793 Base-Backbone interact. energy: -0.004 local terms energy: -22.649339 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -4.879 flat angles C4'-P-C4' energy: -6.591 flat angles P-C4'-P energy: -3.574 tors. eta vs tors. theta energy: -2.238 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: 5 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -58.083312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.083312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.083312 (E_RNA) where: Base-Base interactions energy: -34.313 where: short stacking energy: -18.601 Base-Backbone interact. energy: -0.004 local terms energy: -23.766381 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -5.705 flat angles P-C4'-P energy: -3.835 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: 5, replica: 10 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -44.795708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.795708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.795708 (E_RNA) where: Base-Base interactions energy: -18.477 where: short stacking energy: -18.477 Base-Backbone interact. energy: -0.000 local terms energy: -26.319150 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -3.948 flat angles C4'-P-C4' energy: -6.187 flat angles P-C4'-P energy: -4.391 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: 6, replica: 4 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -36.098537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.098537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.098537 (E_RNA) where: Base-Base interactions energy: -16.802 where: short stacking energy: -16.802 Base-Backbone interact. energy: -0.000 local terms energy: -19.296142 where: bonds (distance) C4'-P energy: -4.098 bonds (distance) P-C4' energy: -5.273 flat angles C4'-P-C4' energy: -3.629 flat angles P-C4'-P energy: -0.587 tors. eta vs tors. theta energy: -5.709 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: 7, replica: 7 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -37.313932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.313932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.313932 (E_RNA) where: Base-Base interactions energy: -16.503 where: short stacking energy: -15.282 Base-Backbone interact. energy: -0.302 local terms energy: -20.508488 where: bonds (distance) C4'-P energy: -1.717 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -5.773 flat angles P-C4'-P energy: -3.300 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: 123 Temperature: 1.250000 Total energy: -40.326725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.326725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.326725 (E_RNA) where: Base-Base interactions energy: -16.994 where: short stacking energy: -15.464 Base-Backbone interact. energy: -0.002 local terms energy: -23.330639 where: bonds (distance) C4'-P energy: -4.276 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -5.482 flat angles P-C4'-P energy: -3.385 tors. eta vs tors. theta energy: -4.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -34.680648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.680648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.680648 (E_RNA) where: Base-Base interactions energy: -12.375 where: short stacking energy: -12.375 Base-Backbone interact. energy: -0.000 local terms energy: -22.305824 where: bonds (distance) C4'-P energy: -3.779 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -3.380 flat angles P-C4'-P energy: -3.385 tors. eta vs tors. theta energy: -5.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -33.976515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.976515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.976515 (E_RNA) where: Base-Base interactions energy: -12.282 where: short stacking energy: -5.162 Base-Backbone interact. energy: -0.109 local terms energy: -21.584943 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -3.627 flat angles P-C4'-P energy: -4.972 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: 6 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -50.390518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.390518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.390518 (E_RNA) where: Base-Base interactions energy: -22.169 where: short stacking energy: -22.169 Base-Backbone interact. energy: -0.016 local terms energy: -28.205628 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -5.715 flat angles P-C4'-P energy: -5.094 tors. eta vs tors. theta energy: -5.739 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: 8 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -40.415412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.415412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.415412 (E_RNA) where: Base-Base interactions energy: -13.695 where: short stacking energy: -13.695 Base-Backbone interact. energy: -0.037 local terms energy: -26.682696 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.391 flat angles P-C4'-P energy: -4.502 tors. eta vs tors. theta energy: -4.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -42.609911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.609911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.609911 (E_RNA) where: Base-Base interactions energy: -17.503 where: short stacking energy: -17.503 Base-Backbone interact. energy: -0.000 local terms energy: -25.106801 where: bonds (distance) C4'-P energy: -5.037 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.384 flat angles P-C4'-P energy: -2.983 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: 1 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -43.407312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.407312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.407312 (E_RNA) where: Base-Base interactions energy: -23.500 where: short stacking energy: -14.738 Base-Backbone interact. energy: -0.376 local terms energy: -19.530587 where: bonds (distance) C4'-P energy: -3.323 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -5.270 flat angles P-C4'-P energy: -1.648 tors. eta vs tors. theta energy: -3.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -45.610640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.610640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.610640 (E_RNA) where: Base-Base interactions energy: -18.511 where: short stacking energy: -18.511 Base-Backbone interact. energy: -0.000 local terms energy: -27.099484 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.146 flat angles P-C4'-P energy: -3.777 tors. eta vs tors. theta energy: -6.095 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: 6, replica: 10 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -39.077884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.077884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.077884 (E_RNA) where: Base-Base interactions energy: -19.833 where: short stacking energy: -15.814 Base-Backbone interact. energy: 1.124 local terms energy: -20.369013 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -5.826 flat angles C4'-P-C4' energy: -3.618 flat angles P-C4'-P energy: -3.732 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: 7, replica: 3 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -38.921270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.921270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.921270 (E_RNA) where: Base-Base interactions energy: -17.111 where: short stacking energy: -17.111 Base-Backbone interact. energy: -0.056 local terms energy: -21.754701 where: bonds (distance) C4'-P energy: -3.770 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -4.319 flat angles P-C4'-P energy: -4.048 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: 8, replica: 7 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -33.991743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.991743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.991743 (E_RNA) where: Base-Base interactions energy: -16.975 where: short stacking energy: -9.801 Base-Backbone interact. energy: -0.001 local terms energy: -17.016500 where: bonds (distance) C4'-P energy: -4.548 bonds (distance) P-C4' energy: -5.948 flat angles C4'-P-C4' energy: -4.319 flat angles P-C4'-P energy: -2.222 tors. eta vs tors. theta energy: 0.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -37.903424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.903424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.903424 (E_RNA) where: Base-Base interactions energy: -13.084 where: short stacking energy: -12.302 Base-Backbone interact. energy: -0.001 local terms energy: -24.818375 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -6.833 flat angles P-C4'-P energy: -2.414 tors. eta vs tors. theta energy: -4.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -31.812406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.812406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.812406 (E_RNA) where: Base-Base interactions energy: -8.459 where: short stacking energy: -6.971 Base-Backbone interact. energy: -0.000 local terms energy: -23.353384 where: bonds (distance) C4'-P energy: -4.756 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -4.755 flat angles P-C4'-P energy: -4.664 tors. eta vs tors. theta energy: -2.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -53.998691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.998691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.998691 (E_RNA) where: Base-Base interactions energy: -23.827 where: short stacking energy: -23.827 Base-Backbone interact. energy: -0.000 local terms energy: -30.171512 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -5.839 flat angles C4'-P-C4' energy: -5.971 flat angles P-C4'-P energy: -4.178 tors. eta vs tors. theta energy: -7.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -41.003138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.003138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.003138 (E_RNA) where: Base-Base interactions energy: -18.514 where: short stacking energy: -18.514 Base-Backbone interact. energy: -0.002 local terms energy: -22.488042 where: bonds (distance) C4'-P energy: -3.236 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.221 flat angles P-C4'-P energy: -3.431 tors. eta vs tors. theta energy: -3.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -40.690299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.690299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.690299 (E_RNA) where: Base-Base interactions energy: -14.324 where: short stacking energy: -14.324 Base-Backbone interact. energy: -0.115 local terms energy: -26.251846 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -5.705 flat angles C4'-P-C4' energy: -5.961 flat angles P-C4'-P energy: -5.336 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: 4, replica: 4 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -42.299169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.299169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.299169 (E_RNA) where: Base-Base interactions energy: -18.175 where: short stacking energy: -18.175 Base-Backbone interact. energy: -0.002 local terms energy: -24.122917 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -4.684 flat angles C4'-P-C4' energy: -5.886 flat angles P-C4'-P energy: -3.783 tors. eta vs tors. theta energy: -3.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -36.426268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.426268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.426268 (E_RNA) where: Base-Base interactions energy: -13.183 where: short stacking energy: -11.598 Base-Backbone interact. energy: -0.971 local terms energy: -22.273025 where: bonds (distance) C4'-P energy: -4.098 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -4.028 flat angles P-C4'-P energy: -5.297 tors. eta vs tors. theta energy: -2.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -38.644923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.644923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.644923 (E_RNA) where: Base-Base interactions energy: -11.048 where: short stacking energy: -11.048 Base-Backbone interact. energy: -0.046 local terms energy: -27.550725 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -5.826 flat angles C4'-P-C4' energy: -6.024 flat angles P-C4'-P energy: -4.938 tors. eta vs tors. theta energy: -4.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -39.989873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.989873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.989873 (E_RNA) where: Base-Base interactions energy: -14.218 where: short stacking energy: -14.218 Base-Backbone interact. energy: -0.005 local terms energy: -25.766990 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -5.092 flat angles P-C4'-P energy: -4.078 tors. eta vs tors. theta energy: -5.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -41.626330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.626330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.626330 (E_RNA) where: Base-Base interactions energy: -16.170 where: short stacking energy: -16.170 Base-Backbone interact. energy: -0.000 local terms energy: -25.456423 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -5.854 flat angles P-C4'-P energy: -2.033 tors. eta vs tors. theta energy: -5.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -33.248924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.248924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.248924 (E_RNA) where: Base-Base interactions energy: -8.280 where: short stacking energy: -8.280 Base-Backbone interact. energy: -0.068 local terms energy: -24.900481 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -5.445 flat angles P-C4'-P energy: -3.910 tors. eta vs tors. theta energy: -3.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -42.094564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.094564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.094564 (E_RNA) where: Base-Base interactions energy: -18.510 where: short stacking energy: -18.510 Base-Backbone interact. energy: -0.000 local terms energy: -23.584881 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -5.107 flat angles C4'-P-C4' energy: -3.485 flat angles P-C4'-P energy: -3.164 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: 6 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -51.507307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.507307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.507307 (E_RNA) where: Base-Base interactions energy: -23.584 where: short stacking energy: -23.584 Base-Backbone interact. energy: -0.000 local terms energy: -27.923735 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.654 flat angles P-C4'-P energy: -4.242 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: 2, replica: 5 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -47.215442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.215442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.215442 (E_RNA) where: Base-Base interactions energy: -20.334 where: short stacking energy: -20.334 Base-Backbone interact. energy: -0.006 local terms energy: -26.875193 where: bonds (distance) C4'-P energy: -5.287 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -6.186 flat angles P-C4'-P energy: -4.176 tors. eta vs tors. theta energy: -5.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -43.147005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.147005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.147005 (E_RNA) where: Base-Base interactions energy: -16.555 where: short stacking energy: -16.555 Base-Backbone interact. energy: -0.012 local terms energy: -26.579899 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.247 flat angles P-C4'-P energy: -4.072 tors. eta vs tors. theta energy: -4.602 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: 4, replica: 8 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -42.318117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.318117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.318117 (E_RNA) where: Base-Base interactions energy: -16.999 where: short stacking energy: -16.999 Base-Backbone interact. energy: -0.000 local terms energy: -25.319172 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -5.506 flat angles C4'-P-C4' energy: -4.226 flat angles P-C4'-P energy: -3.779 tors. eta vs tors. theta energy: -6.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -39.520045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.520045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.520045 (E_RNA) where: Base-Base interactions energy: -18.760 where: short stacking energy: -14.355 Base-Backbone interact. energy: -0.001 local terms energy: -20.758860 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -2.787 flat angles C4'-P-C4' energy: -4.283 flat angles P-C4'-P energy: -2.586 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: 1 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -42.131442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.131442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.131442 (E_RNA) where: Base-Base interactions energy: -16.807 where: short stacking energy: -16.807 Base-Backbone interact. energy: -0.000 local terms energy: -25.324725 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.563 flat angles P-C4'-P energy: -2.723 tors. eta vs tors. theta energy: -4.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -39.013338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.013338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.013338 (E_RNA) where: Base-Base interactions energy: -17.227 where: short stacking energy: -11.996 Base-Backbone interact. energy: -0.000 local terms energy: -21.786215 where: bonds (distance) C4'-P energy: -3.858 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.071 flat angles P-C4'-P energy: -4.189 tors. eta vs tors. theta energy: -3.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -35.644817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.644817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.644817 (E_RNA) where: Base-Base interactions energy: -19.464 where: short stacking energy: -15.414 Base-Backbone interact. energy: 0.528 local terms energy: -16.708015 where: bonds (distance) C4'-P energy: -2.917 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -4.039 flat angles P-C4'-P energy: -1.808 tors. eta vs tors. theta energy: -1.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -31.873424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.873424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.873424 (E_RNA) where: Base-Base interactions energy: -8.748 where: short stacking energy: -8.748 Base-Backbone interact. energy: 0.039 local terms energy: -23.165145 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -4.826 flat angles P-C4'-P energy: -2.185 tors. eta vs tors. theta energy: -2.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -29.548853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.548853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.548853 (E_RNA) where: Base-Base interactions energy: -11.395 where: short stacking energy: -7.400 Base-Backbone interact. energy: -0.045 local terms energy: -18.108369 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -5.240 flat angles C4'-P-C4' energy: -3.727 flat angles P-C4'-P energy: -3.327 tors. eta vs tors. theta energy: -0.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -48.142194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.142194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.142194 (E_RNA) where: Base-Base interactions energy: -21.562 where: short stacking energy: -21.562 Base-Backbone interact. energy: -0.000 local terms energy: -26.580160 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -6.542 flat angles P-C4'-P energy: -3.086 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: 2, replica: 5 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -52.461149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.461149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.461149 (E_RNA) where: Base-Base interactions energy: -25.302 where: short stacking energy: -21.102 Base-Backbone interact. energy: -0.000 local terms energy: -27.158994 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.954 flat angles P-C4'-P energy: -3.046 tors. eta vs tors. theta energy: -6.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -47.757537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.757537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.757537 (E_RNA) where: Base-Base interactions energy: -22.022 where: short stacking energy: -22.022 Base-Backbone interact. energy: -0.000 local terms energy: -25.735427 where: bonds (distance) C4'-P energy: -4.616 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.216 flat angles P-C4'-P energy: -4.178 tors. eta vs tors. theta energy: -5.312 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: 3 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -41.172988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.172988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.172988 (E_RNA) where: Base-Base interactions energy: -16.355 where: short stacking energy: -16.355 Base-Backbone interact. energy: -0.000 local terms energy: -24.817699 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -3.974 flat angles P-C4'-P energy: -4.271 tors. eta vs tors. theta energy: -3.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -40.627162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.627162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.627162 (E_RNA) where: Base-Base interactions energy: -17.299 where: short stacking energy: -17.299 Base-Backbone interact. energy: -0.000 local terms energy: -23.327583 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.550 flat angles P-C4'-P energy: -3.662 tors. eta vs tors. theta energy: -2.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -39.409177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.409177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.409177 (E_RNA) where: Base-Base interactions energy: -15.137 where: short stacking energy: -15.137 Base-Backbone interact. energy: -0.051 local terms energy: -24.221125 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.552 flat angles P-C4'-P energy: -4.094 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: 1 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -34.629646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.629646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.629646 (E_RNA) where: Base-Base interactions energy: -15.507 where: short stacking energy: -14.364 Base-Backbone interact. energy: -0.060 local terms energy: -19.062886 where: bonds (distance) C4'-P energy: -4.603 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -4.656 flat angles P-C4'-P energy: -3.647 tors. eta vs tors. theta energy: -1.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -30.999561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.999561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.999561 (E_RNA) where: Base-Base interactions energy: -11.013 where: short stacking energy: -5.060 Base-Backbone interact. energy: -0.010 local terms energy: -19.976700 where: bonds (distance) C4'-P energy: -3.813 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.343 flat angles P-C4'-P energy: -4.283 tors. eta vs tors. theta energy: -0.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -41.589410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.589410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.589410 (E_RNA) where: Base-Base interactions energy: -18.831 where: short stacking energy: -18.831 Base-Backbone interact. energy: -0.002 local terms energy: -22.755822 where: bonds (distance) C4'-P energy: -4.748 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.528 flat angles P-C4'-P energy: -3.011 tors. eta vs tors. theta energy: -2.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -35.570112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.570112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.570112 (E_RNA) where: Base-Base interactions energy: -12.188 where: short stacking energy: -12.188 Base-Backbone interact. energy: -0.041 local terms energy: -23.341237 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -4.920 flat angles C4'-P-C4' energy: -3.646 flat angles P-C4'-P energy: -4.799 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: 1, replica: 5 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -50.577925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.577925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.577925 (E_RNA) where: Base-Base interactions energy: -22.742 where: short stacking energy: -22.742 Base-Backbone interact. energy: -0.000 local terms energy: -27.835746 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.992 flat angles P-C4'-P energy: -3.954 tors. eta vs tors. theta energy: -6.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -42.616559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.616559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.616559 (E_RNA) where: Base-Base interactions energy: -17.729 where: short stacking energy: -16.176 Base-Backbone interact. energy: -0.001 local terms energy: -24.886729 where: bonds (distance) C4'-P energy: -4.073 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -4.932 flat angles P-C4'-P energy: -4.160 tors. eta vs tors. theta energy: -5.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -46.961423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.961423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.961423 (E_RNA) where: Base-Base interactions energy: -22.068 where: short stacking energy: -22.068 Base-Backbone interact. energy: -0.000 local terms energy: -24.893766 where: bonds (distance) C4'-P energy: -5.125 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.204 flat angles P-C4'-P energy: -2.378 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: 4, replica: 3 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -44.142599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.142599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.142599 (E_RNA) where: Base-Base interactions energy: -20.280 where: short stacking energy: -20.280 Base-Backbone interact. energy: -0.000 local terms energy: -23.862612 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -4.684 flat angles C4'-P-C4' energy: -6.220 flat angles P-C4'-P energy: -3.534 tors. eta vs tors. theta energy: -3.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -45.922717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.922717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.922717 (E_RNA) where: Base-Base interactions energy: -25.291 where: short stacking energy: -8.157 Base-Backbone interact. energy: -0.093 local terms energy: -20.539322 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -3.817 flat angles P-C4'-P energy: -4.933 tors. eta vs tors. theta energy: 0.285 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: 8 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -36.288056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.288056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.288056 (E_RNA) where: Base-Base interactions energy: -15.547 where: short stacking energy: -13.551 Base-Backbone interact. energy: -0.551 local terms energy: -20.190297 where: bonds (distance) C4'-P energy: -4.864 bonds (distance) P-C4' energy: -5.371 flat angles C4'-P-C4' energy: -6.168 flat angles P-C4'-P energy: -2.898 tors. eta vs tors. theta energy: -0.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -32.542727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.542727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.542727 (E_RNA) where: Base-Base interactions energy: -8.888 where: short stacking energy: -8.888 Base-Backbone interact. energy: -0.095 local terms energy: -23.559494 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -5.273 flat angles C4'-P-C4' energy: -5.020 flat angles P-C4'-P energy: -3.660 tors. eta vs tors. theta energy: -3.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -29.099814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.099814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.099814 (E_RNA) where: Base-Base interactions energy: -7.176 where: short stacking energy: -7.176 Base-Backbone interact. energy: -0.232 local terms energy: -21.691627 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -3.548 flat angles P-C4'-P energy: -5.069 tors. eta vs tors. theta energy: -0.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -31.547762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.547762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.547762 (E_RNA) where: Base-Base interactions energy: -7.876 where: short stacking energy: -7.876 Base-Backbone interact. energy: -0.001 local terms energy: -23.670953 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -5.870 flat angles P-C4'-P energy: -4.517 tors. eta vs tors. theta energy: -1.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -32.482303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.482303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.482303 (E_RNA) where: Base-Base interactions energy: -7.803 where: short stacking energy: -7.803 Base-Backbone interact. energy: -0.063 local terms energy: -24.616017 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.584 flat angles P-C4'-P energy: -3.952 tors. eta vs tors. theta energy: -2.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -53.503476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.503476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.503476 (E_RNA) where: Base-Base interactions energy: -24.373 where: short stacking energy: -24.373 Base-Backbone interact. energy: -0.000 local terms energy: -29.130047 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -5.279 flat angles C4'-P-C4' energy: -5.495 flat angles P-C4'-P energy: -5.336 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: 2, replica: 4 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -49.963131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.963131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.963131 (E_RNA) where: Base-Base interactions energy: -21.423 where: short stacking energy: -21.423 Base-Backbone interact. energy: -0.000 local terms energy: -28.539850 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.505 flat angles P-C4'-P energy: -2.409 tors. eta vs tors. theta energy: -7.817 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: 6 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -41.208863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.208863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.208863 (E_RNA) where: Base-Base interactions energy: -18.996 where: short stacking energy: -8.827 Base-Backbone interact. energy: -0.000 local terms energy: -22.212857 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.065 flat angles P-C4'-P energy: -2.497 tors. eta vs tors. theta energy: -1.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -41.703807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.703807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.703807 (E_RNA) where: Base-Base interactions energy: -18.068 where: short stacking energy: -18.068 Base-Backbone interact. energy: -0.000 local terms energy: -23.635868 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -5.047 flat angles P-C4'-P energy: -3.052 tors. eta vs tors. theta energy: -5.068 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: 2 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -47.166412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.166412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.166412 (E_RNA) where: Base-Base interactions energy: -22.683 where: short stacking energy: -17.425 Base-Backbone interact. energy: -0.095 local terms energy: -24.388942 where: bonds (distance) C4'-P energy: -4.719 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.408 flat angles P-C4'-P energy: -3.703 tors. eta vs tors. theta energy: -3.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -40.775750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.775750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.775750 (E_RNA) where: Base-Base interactions energy: -16.196 where: short stacking energy: -16.196 Base-Backbone interact. energy: -0.000 local terms energy: -24.579995 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -3.273 flat angles P-C4'-P energy: -4.546 tors. eta vs tors. theta energy: -3.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -37.087328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.087328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.087328 (E_RNA) where: Base-Base interactions energy: -16.474 where: short stacking energy: -16.474 Base-Backbone interact. energy: -0.091 local terms energy: -20.522708 where: bonds (distance) C4'-P energy: -4.583 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.180 flat angles P-C4'-P energy: -3.887 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: 8, replica: 7 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -31.987959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.987959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.987959 (E_RNA) where: Base-Base interactions energy: -8.332 where: short stacking energy: -8.332 Base-Backbone interact. energy: -0.115 local terms energy: -23.540872 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -5.688 flat angles P-C4'-P energy: -5.389 tors. eta vs tors. theta energy: -1.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -33.566122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.566122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.566122 (E_RNA) where: Base-Base interactions energy: -13.051 where: short stacking energy: -13.051 Base-Backbone interact. energy: -0.094 local terms energy: -20.420906 where: bonds (distance) C4'-P energy: -3.290 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.375 flat angles P-C4'-P energy: -2.493 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: 10, replica: 10 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -32.468057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.468057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.468057 (E_RNA) where: Base-Base interactions energy: -14.561 where: short stacking energy: -14.561 Base-Backbone interact. energy: -0.001 local terms energy: -17.906411 where: bonds (distance) C4'-P energy: -2.624 bonds (distance) P-C4' energy: -5.410 flat angles C4'-P-C4' energy: -4.652 flat angles P-C4'-P energy: -1.371 tors. eta vs tors. theta energy: -3.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -51.994390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.994390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.994390 (E_RNA) where: Base-Base interactions energy: -24.009 where: short stacking energy: -24.009 Base-Backbone interact. energy: -0.000 local terms energy: -27.985497 where: bonds (distance) C4'-P energy: -4.764 bonds (distance) P-C4' energy: -5.896 flat angles C4'-P-C4' energy: -6.400 flat angles P-C4'-P energy: -4.879 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: 2, replica: 5 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -45.343645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.343645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.343645 (E_RNA) where: Base-Base interactions energy: -21.108 where: short stacking energy: -13.788 Base-Backbone interact. energy: -0.023 local terms energy: -24.212708 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -5.837 flat angles C4'-P-C4' energy: -4.738 flat angles P-C4'-P energy: -4.401 tors. eta vs tors. theta energy: -3.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -39.381815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.381815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.381815 (E_RNA) where: Base-Base interactions energy: -19.265 where: short stacking energy: -19.265 Base-Backbone interact. energy: -0.000 local terms energy: -20.116968 where: bonds (distance) C4'-P energy: -2.313 bonds (distance) P-C4' energy: -5.699 flat angles C4'-P-C4' energy: -6.449 flat angles P-C4'-P energy: -3.845 tors. eta vs tors. theta energy: -1.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -39.130094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.130094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.130094 (E_RNA) where: Base-Base interactions energy: -16.158 where: short stacking energy: -11.542 Base-Backbone interact. energy: -0.045 local terms energy: -22.927907 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.132 flat angles P-C4'-P energy: -3.175 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: 5, replica: 9 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -40.821945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.821945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.821945 (E_RNA) where: Base-Base interactions energy: -15.177 where: short stacking energy: -15.177 Base-Backbone interact. energy: -1.010 local terms energy: -24.634402 where: bonds (distance) C4'-P energy: -4.471 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -5.568 flat angles P-C4'-P energy: -3.879 tors. eta vs tors. theta energy: -3.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -42.612392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.612392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.612392 (E_RNA) where: Base-Base interactions energy: -20.481 where: short stacking energy: -11.838 Base-Backbone interact. energy: -0.013 local terms energy: -22.118670 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -3.957 flat angles P-C4'-P energy: -3.954 tors. eta vs tors. theta energy: -2.464 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: 7 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -36.131225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.131225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.131225 (E_RNA) where: Base-Base interactions energy: -13.245 where: short stacking energy: -13.245 Base-Backbone interact. energy: -0.011 local terms energy: -22.875849 where: bonds (distance) C4'-P energy: -3.680 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.728 flat angles P-C4'-P energy: -3.301 tors. eta vs tors. theta energy: -3.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -37.169528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.169528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.169528 (E_RNA) where: Base-Base interactions energy: -18.744 where: short stacking energy: -18.744 Base-Backbone interact. energy: -0.037 local terms energy: -18.388323 where: bonds (distance) C4'-P energy: -3.618 bonds (distance) P-C4' energy: -3.678 flat angles C4'-P-C4' energy: -4.751 flat angles P-C4'-P energy: -5.052 tors. eta vs tors. theta energy: -1.289 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: 10 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -34.699411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.699411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.699411 (E_RNA) where: Base-Base interactions energy: -12.199 where: short stacking energy: -12.199 Base-Backbone interact. energy: -0.000 local terms energy: -22.500434 where: bonds (distance) C4'-P energy: -4.221 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -5.359 flat angles P-C4'-P energy: -3.843 tors. eta vs tors. theta energy: -2.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -34.378781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.378781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.378781 (E_RNA) where: Base-Base interactions energy: -12.789 where: short stacking energy: -8.777 Base-Backbone interact. energy: -0.048 local terms energy: -21.541681 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -5.008 flat angles P-C4'-P energy: -3.085 tors. eta vs tors. theta energy: -0.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -47.803299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.803299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.803299 (E_RNA) where: Base-Base interactions energy: -22.096 where: short stacking energy: -22.096 Base-Backbone interact. energy: -0.000 local terms energy: -25.707726 where: bonds (distance) C4'-P energy: -5.332 bonds (distance) P-C4' energy: -5.181 flat angles C4'-P-C4' energy: -5.410 flat angles P-C4'-P energy: -3.327 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: 2, replica: 3 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -50.621322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.621322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.621322 (E_RNA) where: Base-Base interactions energy: -22.269 where: short stacking energy: -22.269 Base-Backbone interact. energy: -0.000 local terms energy: -28.351890 where: bonds (distance) C4'-P energy: -5.047 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.401 flat angles P-C4'-P energy: -3.822 tors. eta vs tors. theta energy: -7.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -43.260981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.260981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.260981 (E_RNA) where: Base-Base interactions energy: -19.019 where: short stacking energy: -19.019 Base-Backbone interact. energy: -0.000 local terms energy: -24.242115 where: bonds (distance) C4'-P energy: -3.999 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.356 flat angles P-C4'-P energy: -3.000 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: 4, replica: 6 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -42.728799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.728799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.728799 (E_RNA) where: Base-Base interactions energy: -16.647 where: short stacking energy: -16.647 Base-Backbone interact. energy: -0.000 local terms energy: -26.081560 where: bonds (distance) C4'-P energy: -4.391 bonds (distance) P-C4' energy: -5.892 flat angles C4'-P-C4' energy: -6.152 flat angles P-C4'-P energy: -5.418 tors. eta vs tors. theta energy: -4.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -46.015055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.015055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.015055 (E_RNA) where: Base-Base interactions energy: -18.001 where: short stacking energy: -18.001 Base-Backbone interact. energy: -0.000 local terms energy: -28.014150 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.557 flat angles P-C4'-P energy: -4.078 tors. eta vs tors. theta energy: -4.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -38.364725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.364725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.364725 (E_RNA) where: Base-Base interactions energy: -19.159 where: short stacking energy: -19.159 Base-Backbone interact. energy: -0.000 local terms energy: -19.205530 where: bonds (distance) C4'-P energy: -4.639 bonds (distance) P-C4' energy: -5.103 flat angles C4'-P-C4' energy: -4.795 flat angles P-C4'-P energy: -1.896 tors. eta vs tors. theta energy: -2.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -43.685279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.685279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.685279 (E_RNA) where: Base-Base interactions energy: -21.719 where: short stacking energy: -21.719 Base-Backbone interact. energy: -0.000 local terms energy: -21.965776 where: bonds (distance) C4'-P energy: -1.043 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.760 flat angles P-C4'-P energy: -3.406 tors. eta vs tors. theta energy: -5.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -37.645949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.645949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.645949 (E_RNA) where: Base-Base interactions energy: -20.186 where: short stacking energy: -20.186 Base-Backbone interact. energy: -0.085 local terms energy: -17.374023 where: bonds (distance) C4'-P energy: -3.261 bonds (distance) P-C4' energy: -5.107 flat angles C4'-P-C4' energy: -2.813 flat angles P-C4'-P energy: -2.525 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: 8 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -33.205356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.205356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.205356 (E_RNA) where: Base-Base interactions energy: -10.246 where: short stacking energy: -10.246 Base-Backbone interact. energy: -0.000 local terms energy: -22.959820 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.850 flat angles P-C4'-P energy: -4.511 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: 1 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -33.920755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.920755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.920755 (E_RNA) where: Base-Base interactions energy: -15.773 where: short stacking energy: -15.773 Base-Backbone interact. energy: -0.086 local terms energy: -18.062046 where: bonds (distance) C4'-P energy: -3.174 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.109 flat angles P-C4'-P energy: -2.746 tors. eta vs tors. theta energy: -1.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -52.251339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.251339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.251339 (E_RNA) where: Base-Base interactions energy: -23.243 where: short stacking energy: -23.243 Base-Backbone interact. energy: -0.000 local terms energy: -29.007955 where: bonds (distance) C4'-P energy: -5.306 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.533 flat angles P-C4'-P energy: -5.422 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: 2, replica: 4 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -43.505593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.505593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.505593 (E_RNA) where: Base-Base interactions energy: -19.885 where: short stacking energy: -18.892 Base-Backbone interact. energy: -0.093 local terms energy: -23.527989 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -4.386 flat angles C4'-P-C4' energy: -4.062 flat angles P-C4'-P energy: -5.543 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: 3, replica: 5 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -52.968042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.968042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.968042 (E_RNA) where: Base-Base interactions energy: -24.385 where: short stacking energy: -24.385 Base-Backbone interact. energy: -0.000 local terms energy: -28.582842 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -4.924 flat angles P-C4'-P energy: -4.780 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: 4, replica: 6 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -38.782034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.782034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.782034 (E_RNA) where: Base-Base interactions energy: -18.456 where: short stacking energy: -12.570 Base-Backbone interact. energy: -0.000 local terms energy: -20.325592 where: bonds (distance) C4'-P energy: -4.313 bonds (distance) P-C4' energy: -5.107 flat angles C4'-P-C4' energy: -3.700 flat angles P-C4'-P energy: -4.239 tors. eta vs tors. theta energy: -2.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -33.330690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.330690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.330690 (E_RNA) where: Base-Base interactions energy: -13.206 where: short stacking energy: -11.887 Base-Backbone interact. energy: -0.083 local terms energy: -20.042097 where: bonds (distance) C4'-P energy: -5.163 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -6.152 flat angles P-C4'-P energy: -1.887 tors. eta vs tors. theta energy: -0.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -37.023166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.023166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.023166 (E_RNA) where: Base-Base interactions energy: -16.501 where: short stacking energy: -16.501 Base-Backbone interact. energy: -0.002 local terms energy: -20.519662 where: bonds (distance) C4'-P energy: -4.019 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -5.352 flat angles P-C4'-P energy: -0.857 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: 7, replica: 10 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -31.123552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.123552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.123552 (E_RNA) where: Base-Base interactions energy: -10.537 where: short stacking energy: -9.320 Base-Backbone interact. energy: -0.009 local terms energy: -20.577002 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -4.836 flat angles P-C4'-P energy: -2.363 tors. eta vs tors. theta energy: -1.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -36.116643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.116643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.116643 (E_RNA) where: Base-Base interactions energy: -13.995 where: short stacking energy: -13.995 Base-Backbone interact. energy: -0.001 local terms energy: -22.120566 where: bonds (distance) C4'-P energy: -3.573 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -3.874 flat angles P-C4'-P energy: -4.388 tors. eta vs tors. theta energy: -3.377 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: 9, replica: 1 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -37.441329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.441329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.441329 (E_RNA) where: Base-Base interactions energy: -15.535 where: short stacking energy: -14.045 Base-Backbone interact. energy: -0.000 local terms energy: -21.906060 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.484 flat angles P-C4'-P energy: -2.321 tors. eta vs tors. theta energy: -3.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -35.871068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.871068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.871068 (E_RNA) where: Base-Base interactions energy: -20.110 where: short stacking energy: -9.922 Base-Backbone interact. energy: -0.057 local terms energy: -15.703921 where: bonds (distance) C4'-P energy: -4.284 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.589 flat angles P-C4'-P energy: 0.191 tors. eta vs tors. theta energy: 0.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -47.442106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.442106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.442106 (E_RNA) where: Base-Base interactions energy: -24.166 where: short stacking energy: -24.166 Base-Backbone interact. energy: -0.008 local terms energy: -23.268557 where: bonds (distance) C4'-P energy: -4.052 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -3.546 flat angles P-C4'-P energy: -4.858 tors. eta vs tors. theta energy: -4.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -48.922637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.922637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.922637 (E_RNA) where: Base-Base interactions energy: -22.701 where: short stacking energy: -22.701 Base-Backbone interact. energy: -0.000 local terms energy: -26.222042 where: bonds (distance) C4'-P energy: -4.913 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -3.707 flat angles P-C4'-P energy: -4.734 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: 3, replica: 4 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -46.470684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.470684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.470684 (E_RNA) where: Base-Base interactions energy: -19.957 where: short stacking energy: -19.957 Base-Backbone interact. energy: -0.000 local terms energy: -26.513844 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.807 flat angles P-C4'-P energy: -2.900 tors. eta vs tors. theta energy: -6.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -41.251473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.251473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.251473 (E_RNA) where: Base-Base interactions energy: -15.876 where: short stacking energy: -15.876 Base-Backbone interact. energy: -0.000 local terms energy: -25.375529 where: bonds (distance) C4'-P energy: -4.276 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.186 flat angles P-C4'-P energy: -4.908 tors. eta vs tors. theta energy: -3.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -43.474582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.474582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.474582 (E_RNA) where: Base-Base interactions energy: -17.974 where: short stacking energy: -16.040 Base-Backbone interact. energy: -0.000 local terms energy: -25.500116 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -4.895 flat angles C4'-P-C4' energy: -6.117 flat angles P-C4'-P energy: -4.143 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: 6, replica: 9 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -40.582694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.582694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.582694 (E_RNA) where: Base-Base interactions energy: -18.608 where: short stacking energy: -18.608 Base-Backbone interact. energy: -0.000 local terms energy: -21.975072 where: bonds (distance) C4'-P energy: -4.180 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -5.882 flat angles P-C4'-P energy: -2.451 tors. eta vs tors. theta energy: -3.739 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: 10 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -41.572386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.572386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.572386 (E_RNA) where: Base-Base interactions energy: -17.476 where: short stacking energy: -17.476 Base-Backbone interact. energy: -1.057 local terms energy: -23.039780 where: bonds (distance) C4'-P energy: -2.731 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.925 flat angles P-C4'-P energy: -3.617 tors. eta vs tors. theta energy: -4.316 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: 1 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -33.788695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.788695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.788695 (E_RNA) where: Base-Base interactions energy: -13.921 where: short stacking energy: -13.921 Base-Backbone interact. energy: -0.103 local terms energy: -19.764932 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -4.249 flat angles P-C4'-P energy: -3.150 tors. eta vs tors. theta energy: -1.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -30.887755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.887755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.887755 (E_RNA) where: Base-Base interactions energy: -9.811 where: short stacking energy: -8.459 Base-Backbone interact. energy: -0.001 local terms energy: -21.076091 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -4.286 flat angles P-C4'-P energy: -3.424 tors. eta vs tors. theta energy: -0.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -29.867156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.867156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.867156 (E_RNA) where: Base-Base interactions energy: -7.668 where: short stacking energy: -7.668 Base-Backbone interact. energy: -0.001 local terms energy: -22.198648 where: bonds (distance) C4'-P energy: -4.400 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.622 flat angles P-C4'-P energy: -4.892 tors. eta vs tors. theta energy: -0.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -47.653927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.653927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.653927 (E_RNA) where: Base-Base interactions energy: -23.989 where: short stacking energy: -14.219 Base-Backbone interact. energy: -0.041 local terms energy: -23.623879 where: bonds (distance) C4'-P energy: -4.632 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -5.983 flat angles P-C4'-P energy: -5.210 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: 2, replica: 3 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -53.961338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.961338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.961338 (E_RNA) where: Base-Base interactions energy: -25.379 where: short stacking energy: -25.379 Base-Backbone interact. energy: -0.000 local terms energy: -28.582522 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -5.846 flat angles C4'-P-C4' energy: -5.788 flat angles P-C4'-P energy: -4.255 tors. eta vs tors. theta energy: -7.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -43.847577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.847577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.847577 (E_RNA) where: Base-Base interactions energy: -19.013 where: short stacking energy: -19.013 Base-Backbone interact. energy: -0.000 local terms energy: -24.834530 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -5.671 flat angles C4'-P-C4' energy: -5.881 flat angles P-C4'-P energy: -5.070 tors. eta vs tors. theta energy: -1.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -50.741316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.741316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.741316 (E_RNA) where: Base-Base interactions energy: -23.930 where: short stacking energy: -23.930 Base-Backbone interact. energy: -0.000 local terms energy: -26.811736 where: bonds (distance) C4'-P energy: -5.141 bonds (distance) P-C4' energy: -4.960 flat angles C4'-P-C4' energy: -5.935 flat angles P-C4'-P energy: -3.404 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: 5, replica: 9 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -38.390319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.390319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.390319 (E_RNA) where: Base-Base interactions energy: -14.153 where: short stacking energy: -14.153 Base-Backbone interact. energy: -0.056 local terms energy: -24.181030 where: bonds (distance) C4'-P energy: -5.953 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.935 flat angles P-C4'-P energy: -4.521 tors. eta vs tors. theta energy: -2.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -42.460657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.460657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.460657 (E_RNA) where: Base-Base interactions energy: -19.677 where: short stacking energy: -8.609 Base-Backbone interact. energy: -0.001 local terms energy: -22.783293 where: bonds (distance) C4'-P energy: -5.393 bonds (distance) P-C4' energy: -5.410 flat angles C4'-P-C4' energy: -5.290 flat angles P-C4'-P energy: -5.175 tors. eta vs tors. theta energy: -1.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -43.851565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.851565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.851565 (E_RNA) where: Base-Base interactions energy: -22.782 where: short stacking energy: -18.761 Base-Backbone interact. energy: -0.000 local terms energy: -21.069314 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -2.004 flat angles C4'-P-C4' energy: -5.245 flat angles P-C4'-P energy: -2.960 tors. eta vs tors. theta energy: -5.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -39.950181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.950181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.950181 (E_RNA) where: Base-Base interactions energy: -15.479 where: short stacking energy: -14.282 Base-Backbone interact. energy: -0.141 local terms energy: -24.329394 where: bonds (distance) C4'-P energy: -5.286 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.392 flat angles P-C4'-P energy: -4.552 tors. eta vs tors. theta energy: -3.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -29.078652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.078652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.078652 (E_RNA) where: Base-Base interactions energy: -12.228 where: short stacking energy: -12.228 Base-Backbone interact. energy: -0.057 local terms energy: -16.793176 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -4.530 flat angles C4'-P-C4' energy: -4.560 flat angles P-C4'-P energy: -2.628 tors. eta vs tors. theta energy: 0.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -35.829695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.829695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.829695 (E_RNA) where: Base-Base interactions energy: -16.447 where: short stacking energy: -11.485 Base-Backbone interact. energy: -0.000 local terms energy: -19.382032 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.669 flat angles P-C4'-P energy: -0.978 tors. eta vs tors. theta energy: -3.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -47.270762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.270762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.270762 (E_RNA) where: Base-Base interactions energy: -21.002 where: short stacking energy: -21.002 Base-Backbone interact. energy: -0.000 local terms energy: -26.268396 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -5.423 flat angles P-C4'-P energy: -4.158 tors. eta vs tors. theta energy: -5.166 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: 3 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -41.518572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.518572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.518572 (E_RNA) where: Base-Base interactions energy: -15.557 where: short stacking energy: -15.557 Base-Backbone interact. energy: -0.018 local terms energy: -25.943250 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.171 flat angles P-C4'-P energy: -4.742 tors. eta vs tors. theta energy: -2.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -51.258509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.258509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.258509 (E_RNA) where: Base-Base interactions energy: -23.561 where: short stacking energy: -23.561 Base-Backbone interact. energy: -0.000 local terms energy: -27.697329 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -5.582 flat angles C4'-P-C4' energy: -5.899 flat angles P-C4'-P energy: -3.677 tors. eta vs tors. theta energy: -6.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -50.396105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.396105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.396105 (E_RNA) where: Base-Base interactions energy: -23.319 where: short stacking energy: -23.319 Base-Backbone interact. energy: -0.000 local terms energy: -27.077345 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -4.669 flat angles P-C4'-P energy: -3.746 tors. eta vs tors. theta energy: -7.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -38.908629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.908629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.908629 (E_RNA) where: Base-Base interactions energy: -16.053 where: short stacking energy: -16.053 Base-Backbone interact. energy: -0.000 local terms energy: -22.855336 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.286 flat angles P-C4'-P energy: -2.080 tors. eta vs tors. theta energy: -3.247 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: 10 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -38.504122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.504122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.504122 (E_RNA) where: Base-Base interactions energy: -16.623 where: short stacking energy: -13.642 Base-Backbone interact. energy: 0.042 local terms energy: -21.923122 where: bonds (distance) C4'-P energy: -4.665 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -6.277 flat angles P-C4'-P energy: -3.417 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: 7, replica: 6 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -34.610816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.610816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.610816 (E_RNA) where: Base-Base interactions energy: -12.714 where: short stacking energy: -12.714 Base-Backbone interact. energy: -0.000 local terms energy: -21.896341 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.400 flat angles P-C4'-P energy: -2.430 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: 8, replica: 8 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -32.879721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.879721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.879721 (E_RNA) where: Base-Base interactions energy: -11.263 where: short stacking energy: -11.263 Base-Backbone interact. energy: -0.001 local terms energy: -21.615612 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -4.111 flat angles P-C4'-P energy: -2.744 tors. eta vs tors. theta energy: -2.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -32.670114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.670114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.670114 (E_RNA) where: Base-Base interactions energy: -14.098 where: short stacking energy: -14.098 Base-Backbone interact. energy: -0.048 local terms energy: -18.524337 where: bonds (distance) C4'-P energy: -2.826 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -4.566 flat angles P-C4'-P energy: -3.793 tors. eta vs tors. theta energy: -1.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -39.304331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.304331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.304331 (E_RNA) where: Base-Base interactions energy: -12.807 where: short stacking energy: -12.637 Base-Backbone interact. energy: -0.646 local terms energy: -25.851572 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.868 flat angles C4'-P-C4' energy: -5.130 flat angles P-C4'-P energy: -5.231 tors. eta vs tors. theta energy: -3.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -42.563014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.563014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.563014 (E_RNA) where: Base-Base interactions energy: -19.009 where: short stacking energy: -19.009 Base-Backbone interact. energy: -0.074 local terms energy: -23.479989 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.892 flat angles P-C4'-P energy: -4.722 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: 2, replica: 5 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -44.200633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.200633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.200633 (E_RNA) where: Base-Base interactions energy: -19.560 where: short stacking energy: -19.560 Base-Backbone interact. energy: -0.052 local terms energy: -24.588430 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -5.131 flat angles C4'-P-C4' energy: -3.703 flat angles P-C4'-P energy: -4.717 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: 3, replica: 7 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -45.973970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.973970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.973970 (E_RNA) where: Base-Base interactions energy: -22.644 where: short stacking energy: -13.547 Base-Backbone interact. energy: -0.102 local terms energy: -23.228243 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -3.887 flat angles P-C4'-P energy: -3.759 tors. eta vs tors. theta energy: -3.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -34.082115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.082115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.082115 (E_RNA) where: Base-Base interactions energy: -16.346 where: short stacking energy: -6.713 Base-Backbone interact. energy: -0.001 local terms energy: -17.734840 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -4.868 flat angles P-C4'-P energy: -2.096 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: 5, replica: 10 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -46.477100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.477100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.477100 (E_RNA) where: Base-Base interactions energy: -19.120 where: short stacking energy: -19.120 Base-Backbone interact. energy: -0.000 local terms energy: -27.357499 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -5.579 flat angles C4'-P-C4' energy: -6.285 flat angles P-C4'-P energy: -2.851 tors. eta vs tors. theta energy: -7.443 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: 4 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -33.919640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.919640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.919640 (E_RNA) where: Base-Base interactions energy: -14.402 where: short stacking energy: -14.402 Base-Backbone interact. energy: -0.000 local terms energy: -19.517601 where: bonds (distance) C4'-P energy: -3.982 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -3.065 flat angles P-C4'-P energy: -1.070 tors. eta vs tors. theta energy: -4.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -33.766170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.766170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.766170 (E_RNA) where: Base-Base interactions energy: -12.817 where: short stacking energy: -12.917 Base-Backbone interact. energy: 0.072 local terms energy: -21.021225 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.598 flat angles P-C4'-P energy: -4.539 tors. eta vs tors. theta energy: 0.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -33.164250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.164250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.164250 (E_RNA) where: Base-Base interactions energy: -11.523 where: short stacking energy: -11.523 Base-Backbone interact. energy: -0.000 local terms energy: -21.640494 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -4.838 flat angles P-C4'-P energy: -2.658 tors. eta vs tors. theta energy: -1.323 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: 2 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -40.968897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.968897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.968897 (E_RNA) where: Base-Base interactions energy: -20.243 where: short stacking energy: -20.243 Base-Backbone interact. energy: -0.000 local terms energy: -20.725942 where: bonds (distance) C4'-P energy: -3.423 bonds (distance) P-C4' energy: -5.512 flat angles C4'-P-C4' energy: -3.266 flat angles P-C4'-P energy: -3.239 tors. eta vs tors. theta energy: -5.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -33.717516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.717516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.717516 (E_RNA) where: Base-Base interactions energy: -12.981 where: short stacking energy: -12.981 Base-Backbone interact. energy: -0.000 local terms energy: -20.735976 where: bonds (distance) C4'-P energy: -3.717 bonds (distance) P-C4' energy: -4.960 flat angles C4'-P-C4' energy: -3.093 flat angles P-C4'-P energy: -4.850 tors. eta vs tors. theta energy: -4.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -49.206009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.206009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.206009 (E_RNA) where: Base-Base interactions energy: -23.668 where: short stacking energy: -13.928 Base-Backbone interact. energy: -0.227 local terms energy: -25.311460 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -5.359 flat angles P-C4'-P energy: -2.858 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: 2, replica: 7 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -43.152510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.152510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.152510 (E_RNA) where: Base-Base interactions energy: -18.866 where: short stacking energy: -15.116 Base-Backbone interact. energy: -0.163 local terms energy: -24.123707 where: bonds (distance) C4'-P energy: -4.276 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.568 flat angles P-C4'-P energy: -3.132 tors. eta vs tors. theta energy: -3.504 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: 3, replica: 5 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -46.027468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.027468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.027468 (E_RNA) where: Base-Base interactions energy: -17.336 where: short stacking energy: -17.336 Base-Backbone interact. energy: -0.000 local terms energy: -28.691855 where: bonds (distance) C4'-P energy: -4.761 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.424 flat angles P-C4'-P energy: -4.144 tors. eta vs tors. theta energy: -7.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -41.158248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.158248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.158248 (E_RNA) where: Base-Base interactions energy: -16.117 where: short stacking energy: -14.505 Base-Backbone interact. energy: -0.001 local terms energy: -25.040178 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -5.624 flat angles P-C4'-P energy: -4.567 tors. eta vs tors. theta energy: -3.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -39.545291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.545291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.545291 (E_RNA) where: Base-Base interactions energy: -14.240 where: short stacking energy: -14.043 Base-Backbone interact. energy: -0.001 local terms energy: -25.304495 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.509 flat angles P-C4'-P energy: -3.148 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: 6, replica: 4 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -37.388081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.388081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.388081 (E_RNA) where: Base-Base interactions energy: -14.943 where: short stacking energy: -14.943 Base-Backbone interact. energy: -0.071 local terms energy: -22.373595 where: bonds (distance) C4'-P energy: -4.839 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.164 flat angles P-C4'-P energy: -2.811 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: 7, replica: 8 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -39.116270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.116270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.116270 (E_RNA) where: Base-Base interactions energy: -16.026 where: short stacking energy: -16.026 Base-Backbone interact. energy: -0.139 local terms energy: -22.951202 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.248 flat angles P-C4'-P energy: -1.478 tors. eta vs tors. theta energy: -2.157 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: 2 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -40.377722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.377722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.377722 (E_RNA) where: Base-Base interactions energy: -18.617 where: short stacking energy: -18.617 Base-Backbone interact. energy: -0.030 local terms energy: -21.730865 where: bonds (distance) C4'-P energy: -3.743 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -3.703 flat angles P-C4'-P energy: -4.233 tors. eta vs tors. theta energy: -3.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -31.860274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.860274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.860274 (E_RNA) where: Base-Base interactions energy: -9.166 where: short stacking energy: -9.166 Base-Backbone interact. energy: -0.018 local terms energy: -22.676248 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.116 flat angles P-C4'-P energy: -3.894 tors. eta vs tors. theta energy: -1.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -36.035325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.035325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.035325 (E_RNA) where: Base-Base interactions energy: -13.881 where: short stacking energy: -13.981 Base-Backbone interact. energy: -0.193 local terms energy: -21.961535 where: bonds (distance) C4'-P energy: -4.872 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.476 flat angles P-C4'-P energy: -2.439 tors. eta vs tors. theta energy: -3.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -49.046433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.046433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.046433 (E_RNA) where: Base-Base interactions energy: -25.397 where: short stacking energy: -21.932 Base-Backbone interact. energy: -0.992 local terms energy: -22.657951 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -5.442 flat angles C4'-P-C4' energy: -6.079 flat angles P-C4'-P energy: -1.910 tors. eta vs tors. theta energy: -3.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -44.449165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.449165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.449165 (E_RNA) where: Base-Base interactions energy: -16.581 where: short stacking energy: -16.581 Base-Backbone interact. energy: -0.000 local terms energy: -27.867855 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.124 flat angles C4'-P-C4' energy: -6.317 flat angles P-C4'-P energy: -4.682 tors. eta vs tors. theta energy: -5.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -46.760837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.760837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.760837 (E_RNA) where: Base-Base interactions energy: -20.731 where: short stacking energy: -20.731 Base-Backbone interact. energy: -0.095 local terms energy: -25.934639 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -6.308 flat angles P-C4'-P energy: -5.316 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: 4, replica: 5 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -49.029568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.029568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.029568 (E_RNA) where: Base-Base interactions energy: -22.565 where: short stacking energy: -22.565 Base-Backbone interact. energy: -0.180 local terms energy: -26.284837 where: bonds (distance) C4'-P energy: -3.982 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -3.874 flat angles P-C4'-P energy: -4.937 tors. eta vs tors. theta energy: -6.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -39.547940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.547940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.547940 (E_RNA) where: Base-Base interactions energy: -17.749 where: short stacking energy: -17.749 Base-Backbone interact. energy: -0.000 local terms energy: -21.798510 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -5.604 flat angles C4'-P-C4' energy: -3.525 flat angles P-C4'-P energy: -3.753 tors. eta vs tors. theta energy: -3.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -40.361760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.361760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.361760 (E_RNA) where: Base-Base interactions energy: -15.176 where: short stacking energy: -15.176 Base-Backbone interact. energy: -0.000 local terms energy: -25.186030 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -4.511 flat angles P-C4'-P energy: -4.374 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: 7, replica: 2 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -36.038244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.038244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.038244 (E_RNA) where: Base-Base interactions energy: -17.558 where: short stacking energy: -17.558 Base-Backbone interact. energy: -0.007 local terms energy: -18.473950 where: bonds (distance) C4'-P energy: -4.230 bonds (distance) P-C4' energy: -3.822 flat angles C4'-P-C4' energy: -5.124 flat angles P-C4'-P energy: -3.511 tors. eta vs tors. theta energy: -1.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -35.331396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.331396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.331396 (E_RNA) where: Base-Base interactions energy: -16.495 where: short stacking energy: -16.495 Base-Backbone interact. energy: -0.004 local terms energy: -18.831480 where: bonds (distance) C4'-P energy: -4.499 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.772 flat angles P-C4'-P energy: -0.728 tors. eta vs tors. theta energy: -0.693 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: 1 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -31.950992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.950992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.950992 (E_RNA) where: Base-Base interactions energy: -11.375 where: short stacking energy: -11.375 Base-Backbone interact. energy: -0.003 local terms energy: -20.572724 where: bonds (distance) C4'-P energy: -4.471 bonds (distance) P-C4' energy: -5.143 flat angles C4'-P-C4' energy: -5.892 flat angles P-C4'-P energy: -2.725 tors. eta vs tors. theta energy: -2.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -41.813075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.813075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.813075 (E_RNA) where: Base-Base interactions energy: -18.213 where: short stacking energy: -18.213 Base-Backbone interact. energy: -0.000 local terms energy: -23.600385 where: bonds (distance) C4'-P energy: -4.959 bonds (distance) P-C4' energy: -5.156 flat angles C4'-P-C4' energy: -5.324 flat angles P-C4'-P energy: -2.562 tors. eta vs tors. theta energy: -5.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -55.218692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.218692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.218692 (E_RNA) where: Base-Base interactions energy: -25.660 where: short stacking energy: -25.660 Base-Backbone interact. energy: -0.000 local terms energy: -29.558489 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.586 flat angles P-C4'-P energy: -5.211 tors. eta vs tors. theta energy: -7.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -46.052367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.052367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.052367 (E_RNA) where: Base-Base interactions energy: -22.748 where: short stacking energy: -22.748 Base-Backbone interact. energy: -0.000 local terms energy: -23.304742 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -3.811 flat angles C4'-P-C4' energy: -4.851 flat angles P-C4'-P energy: -3.137 tors. eta vs tors. theta energy: -5.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -48.285412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.285412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.285412 (E_RNA) where: Base-Base interactions energy: -22.557 where: short stacking energy: -22.557 Base-Backbone interact. energy: -0.000 local terms energy: -25.728440 where: bonds (distance) C4'-P energy: -5.617 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.612 flat angles P-C4'-P energy: -1.170 tors. eta vs tors. theta energy: -6.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -46.445009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.445009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.445009 (E_RNA) where: Base-Base interactions energy: -21.982 where: short stacking energy: -21.982 Base-Backbone interact. energy: -0.000 local terms energy: -24.462704 where: bonds (distance) C4'-P energy: -4.434 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -5.853 flat angles P-C4'-P energy: -1.803 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: 5, replica: 4 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -45.713564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.713564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.713564 (E_RNA) where: Base-Base interactions energy: -25.015 where: short stacking energy: -7.293 Base-Backbone interact. energy: 0.831 local terms energy: -21.529630 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.828 flat angles P-C4'-P energy: -4.090 tors. eta vs tors. theta energy: -0.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -41.674861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.674861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.674861 (E_RNA) where: Base-Base interactions energy: -23.467 where: short stacking energy: -12.156 Base-Backbone interact. energy: -0.000 local terms energy: -18.208225 where: bonds (distance) C4'-P energy: -5.510 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -5.231 flat angles P-C4'-P energy: -1.454 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: 7, replica: 2 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -36.420970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.420970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.420970 (E_RNA) where: Base-Base interactions energy: -13.665 where: short stacking energy: -13.665 Base-Backbone interact. energy: -0.796 local terms energy: -21.959705 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -6.288 flat angles P-C4'-P energy: -3.059 tors. eta vs tors. theta energy: -1.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -38.834367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.834367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.834367 (E_RNA) where: Base-Base interactions energy: -17.606 where: short stacking energy: -17.606 Base-Backbone interact. energy: -0.005 local terms energy: -21.222997 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -5.775 flat angles P-C4'-P energy: -2.037 tors. eta vs tors. theta energy: -2.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -35.484753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.484753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.484753 (E_RNA) where: Base-Base interactions energy: -14.363 where: short stacking energy: -14.363 Base-Backbone interact. energy: -0.000 local terms energy: -21.121957 where: bonds (distance) C4'-P energy: -3.833 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -3.899 flat angles P-C4'-P energy: -3.688 tors. eta vs tors. theta energy: -3.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -34.419891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.419891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.419891 (E_RNA) where: Base-Base interactions energy: -11.726 where: short stacking energy: -11.726 Base-Backbone interact. energy: -0.049 local terms energy: -22.645420 where: bonds (distance) C4'-P energy: -5.341 bonds (distance) P-C4' energy: -4.564 flat angles C4'-P-C4' energy: -6.887 flat angles P-C4'-P energy: -3.214 tors. eta vs tors. theta energy: -2.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -48.252810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.252810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.252810 (E_RNA) where: Base-Base interactions energy: -21.140 where: short stacking energy: -21.140 Base-Backbone interact. energy: -0.000 local terms energy: -27.112738 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -5.704 flat angles P-C4'-P energy: -3.151 tors. eta vs tors. theta energy: -6.540 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: 7 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -47.956926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.956926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.956926 (E_RNA) where: Base-Base interactions energy: -19.684 where: short stacking energy: -19.984 Base-Backbone interact. energy: -0.000 local terms energy: -28.272546 where: bonds (distance) C4'-P energy: -4.996 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.285 flat angles P-C4'-P energy: -4.818 tors. eta vs tors. theta energy: -5.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -42.134182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.134182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.134182 (E_RNA) where: Base-Base interactions energy: -15.520 where: short stacking energy: -15.520 Base-Backbone interact. energy: -0.100 local terms energy: -26.514216 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -6.420 flat angles P-C4'-P energy: -5.089 tors. eta vs tors. theta energy: -3.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -44.698626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.698626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.698626 (E_RNA) where: Base-Base interactions energy: -25.868 where: short stacking energy: -13.666 Base-Backbone interact. energy: 0.060 local terms energy: -18.890959 where: bonds (distance) C4'-P energy: -3.299 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -4.638 flat angles P-C4'-P energy: -3.690 tors. eta vs tors. theta energy: -0.625 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: 9 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -44.699545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.699545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.699545 (E_RNA) where: Base-Base interactions energy: -17.045 where: short stacking energy: -17.045 Base-Backbone interact. energy: -0.000 local terms energy: -27.653979 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.918 flat angles P-C4'-P energy: -4.087 tors. eta vs tors. theta energy: -5.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -39.871865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.871865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.871865 (E_RNA) where: Base-Base interactions energy: -16.445 where: short stacking energy: -11.958 Base-Backbone interact. energy: -0.089 local terms energy: -23.337800 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -5.892 flat angles C4'-P-C4' energy: -5.393 flat angles P-C4'-P energy: -3.354 tors. eta vs tors. theta energy: -3.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -36.666413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.666413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.666413 (E_RNA) where: Base-Base interactions energy: -13.200 where: short stacking energy: -13.200 Base-Backbone interact. energy: -0.004 local terms energy: -23.461775 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.486 flat angles P-C4'-P energy: -4.542 tors. eta vs tors. theta energy: -1.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -30.930522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.930522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.930522 (E_RNA) where: Base-Base interactions energy: -14.777 where: short stacking energy: -10.767 Base-Backbone interact. energy: -0.132 local terms energy: -16.021357 where: bonds (distance) C4'-P energy: -2.152 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.390 flat angles P-C4'-P energy: -2.777 tors. eta vs tors. theta energy: 0.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -34.072402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.072402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.072402 (E_RNA) where: Base-Base interactions energy: -16.492 where: short stacking energy: -3.539 Base-Backbone interact. energy: -0.001 local terms energy: -17.578672 where: bonds (distance) C4'-P energy: -4.019 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -3.948 flat angles P-C4'-P energy: -2.742 tors. eta vs tors. theta energy: 0.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -34.870076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.870076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.870076 (E_RNA) where: Base-Base interactions energy: -14.017 where: short stacking energy: -14.017 Base-Backbone interact. energy: -0.000 local terms energy: -20.853245 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -3.054 flat angles C4'-P-C4' energy: -4.024 flat angles P-C4'-P energy: -3.627 tors. eta vs tors. theta energy: -5.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -47.287028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.287028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.287028 (E_RNA) where: Base-Base interactions energy: -21.948 where: short stacking energy: -21.948 Base-Backbone interact. energy: -0.000 local terms energy: -25.338578 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.514 flat angles P-C4'-P energy: -3.155 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: 2, replica: 5 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -50.806651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.806651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.806651 (E_RNA) where: Base-Base interactions energy: -20.126 where: short stacking energy: -20.126 Base-Backbone interact. energy: -0.000 local terms energy: -30.681052 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.731 flat angles P-C4'-P energy: -5.476 tors. eta vs tors. theta energy: -6.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -42.896277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.896277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.896277 (E_RNA) where: Base-Base interactions energy: -19.155 where: short stacking energy: -19.155 Base-Backbone interact. energy: -0.033 local terms energy: -23.707578 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.354 flat angles P-C4'-P energy: -3.559 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: 4, replica: 9 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -43.791568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.791568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.791568 (E_RNA) where: Base-Base interactions energy: -17.932 where: short stacking energy: -17.932 Base-Backbone interact. energy: -0.003 local terms energy: -25.856550 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -4.621 flat angles C4'-P-C4' energy: -6.411 flat angles P-C4'-P energy: -4.010 tors. eta vs tors. theta energy: -4.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -46.304697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.304697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.304697 (E_RNA) where: Base-Base interactions energy: -23.021 where: short stacking energy: -23.021 Base-Backbone interact. energy: -0.000 local terms energy: -23.283791 where: bonds (distance) C4'-P energy: -3.680 bonds (distance) P-C4' energy: -5.283 flat angles C4'-P-C4' energy: -4.124 flat angles P-C4'-P energy: -3.610 tors. eta vs tors. theta energy: -6.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -36.557089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.557089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.557089 (E_RNA) where: Base-Base interactions energy: -17.830 where: short stacking energy: -17.389 Base-Backbone interact. energy: -0.000 local terms energy: -18.726599 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -1.498 flat angles P-C4'-P energy: -2.918 tors. eta vs tors. theta energy: -1.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -48.786974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.786974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.786974 (E_RNA) where: Base-Base interactions energy: -21.913 where: short stacking energy: -16.041 Base-Backbone interact. energy: -0.000 local terms energy: -26.873755 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -3.550 flat angles P-C4'-P energy: -4.431 tors. eta vs tors. theta energy: -6.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -35.722457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.722457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.722457 (E_RNA) where: Base-Base interactions energy: -13.678 where: short stacking energy: -13.678 Base-Backbone interact. energy: -0.008 local terms energy: -22.035664 where: bonds (distance) C4'-P energy: -4.823 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -3.863 flat angles P-C4'-P energy: -4.664 tors. eta vs tors. theta energy: -2.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -37.744638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.744638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.744638 (E_RNA) where: Base-Base interactions energy: -17.858 where: short stacking energy: -17.858 Base-Backbone interact. energy: -0.033 local terms energy: -19.854083 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -3.966 flat angles C4'-P-C4' energy: -4.024 flat angles P-C4'-P energy: -4.092 tors. eta vs tors. theta energy: -2.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -32.262724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.262724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.262724 (E_RNA) where: Base-Base interactions energy: -10.097 where: short stacking energy: -10.097 Base-Backbone interact. energy: -0.001 local terms energy: -22.163984 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -5.393 flat angles P-C4'-P energy: -3.922 tors. eta vs tors. theta energy: -0.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -52.588515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.588515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.588515 (E_RNA) where: Base-Base interactions energy: -26.274 where: short stacking energy: -26.274 Base-Backbone interact. energy: -0.000 local terms energy: -26.314434 where: bonds (distance) C4'-P energy: -5.626 bonds (distance) P-C4' energy: -4.297 flat angles C4'-P-C4' energy: -5.119 flat angles P-C4'-P energy: -5.135 tors. eta vs tors. theta energy: -6.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -51.755102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.755102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.755102 (E_RNA) where: Base-Base interactions energy: -22.668 where: short stacking energy: -22.668 Base-Backbone interact. energy: -0.000 local terms energy: -29.086670 where: bonds (distance) C4'-P energy: -5.207 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.443 flat angles P-C4'-P energy: -4.905 tors. eta vs tors. theta energy: -7.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -43.037240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.037240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.037240 (E_RNA) where: Base-Base interactions energy: -21.666 where: short stacking energy: -15.597 Base-Backbone interact. energy: -0.035 local terms energy: -21.335889 where: bonds (distance) C4'-P energy: -3.572 bonds (distance) P-C4' energy: -5.671 flat angles C4'-P-C4' energy: -5.484 flat angles P-C4'-P energy: -3.676 tors. eta vs tors. theta energy: -2.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -43.359742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.359742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.359742 (E_RNA) where: Base-Base interactions energy: -19.332 where: short stacking energy: -19.332 Base-Backbone interact. energy: -0.000 local terms energy: -24.027885 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.366 flat angles P-C4'-P energy: -1.264 tors. eta vs tors. theta energy: -4.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -41.756390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.756390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.756390 (E_RNA) where: Base-Base interactions energy: -19.217 where: short stacking energy: -12.691 Base-Backbone interact. energy: -0.004 local terms energy: -22.535819 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.755 flat angles P-C4'-P energy: -3.688 tors. eta vs tors. theta energy: -2.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -41.083314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.083314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.083314 (E_RNA) where: Base-Base interactions energy: -15.752 where: short stacking energy: -15.752 Base-Backbone interact. energy: -0.000 local terms energy: -25.331362 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -3.213 flat angles P-C4'-P energy: -4.320 tors. eta vs tors. theta energy: -5.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -32.754241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.754241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.754241 (E_RNA) where: Base-Base interactions energy: -11.801 where: short stacking energy: -8.142 Base-Backbone interact. energy: -0.041 local terms energy: -20.911946 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -4.281 flat angles P-C4'-P energy: -3.062 tors. eta vs tors. theta energy: -1.293 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: 4 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -40.623770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.623770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.623770 (E_RNA) where: Base-Base interactions energy: -17.033 where: short stacking energy: -17.033 Base-Backbone interact. energy: -0.000 local terms energy: -23.590384 where: bonds (distance) C4'-P energy: -5.100 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -6.421 flat angles P-C4'-P energy: -2.566 tors. eta vs tors. theta energy: -3.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -33.457878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.457878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.457878 (E_RNA) where: Base-Base interactions energy: -12.106 where: short stacking energy: -12.106 Base-Backbone interact. energy: -0.005 local terms energy: -21.346654 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -5.217 flat angles P-C4'-P energy: -3.881 tors. eta vs tors. theta energy: -1.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -33.350081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.350081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.350081 (E_RNA) where: Base-Base interactions energy: -11.127 where: short stacking energy: -11.127 Base-Backbone interact. energy: -0.000 local terms energy: -22.223237 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -3.948 flat angles C4'-P-C4' energy: -5.315 flat angles P-C4'-P energy: -4.091 tors. eta vs tors. theta energy: -3.343 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: 5 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -47.496862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.496862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.496862 (E_RNA) where: Base-Base interactions energy: -20.922 where: short stacking energy: -20.922 Base-Backbone interact. energy: -0.000 local terms energy: -26.575192 where: bonds (distance) C4'-P energy: -5.285 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -5.092 flat angles P-C4'-P energy: -4.226 tors. eta vs tors. theta energy: -5.085 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: 9 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -45.838782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.838782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.838782 (E_RNA) where: Base-Base interactions energy: -21.098 where: short stacking energy: -21.098 Base-Backbone interact. energy: -0.000 local terms energy: -24.740415 where: bonds (distance) C4'-P energy: -4.523 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -5.169 flat angles P-C4'-P energy: -4.537 tors. eta vs tors. theta energy: -4.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -54.172388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.172388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.172388 (E_RNA) where: Base-Base interactions energy: -25.209 where: short stacking energy: -25.209 Base-Backbone interact. energy: -0.000 local terms energy: -28.963266 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.573 flat angles P-C4'-P energy: -4.350 tors. eta vs tors. theta energy: -6.125 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: 8 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -42.705626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.705626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.705626 (E_RNA) where: Base-Base interactions energy: -16.120 where: short stacking energy: -15.029 Base-Backbone interact. energy: -1.412 local terms energy: -25.173912 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.773 flat angles P-C4'-P energy: -3.674 tors. eta vs tors. theta energy: -3.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -40.475529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.475529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.475529 (E_RNA) where: Base-Base interactions energy: -18.119 where: short stacking energy: -18.119 Base-Backbone interact. energy: -0.000 local terms energy: -22.356100 where: bonds (distance) C4'-P energy: -4.388 bonds (distance) P-C4' energy: -5.150 flat angles C4'-P-C4' energy: -5.125 flat angles P-C4'-P energy: -2.982 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: 6, replica: 10 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -42.794835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.794835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.794835 (E_RNA) where: Base-Base interactions energy: -18.522 where: short stacking energy: -18.522 Base-Backbone interact. energy: -0.000 local terms energy: -24.272795 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.048 flat angles P-C4'-P energy: -2.497 tors. eta vs tors. theta energy: -3.751 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: 1 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -41.275913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.275913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.275913 (E_RNA) where: Base-Base interactions energy: -21.068 where: short stacking energy: -13.484 Base-Backbone interact. energy: -0.060 local terms energy: -20.148230 where: bonds (distance) C4'-P energy: -4.044 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.317 flat angles P-C4'-P energy: -1.269 tors. eta vs tors. theta energy: -2.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -36.563583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.563583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.563583 (E_RNA) where: Base-Base interactions energy: -16.647 where: short stacking energy: -16.647 Base-Backbone interact. energy: -0.000 local terms energy: -19.916299 where: bonds (distance) C4'-P energy: -3.031 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -3.371 flat angles P-C4'-P energy: -3.011 tors. eta vs tors. theta energy: -4.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -39.114663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.114663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.114663 (E_RNA) where: Base-Base interactions energy: -20.694 where: short stacking energy: -20.694 Base-Backbone interact. energy: -0.000 local terms energy: -18.420470 where: bonds (distance) C4'-P energy: -4.495 bonds (distance) P-C4' energy: -6.135 flat angles C4'-P-C4' energy: -0.849 flat angles P-C4'-P energy: -2.994 tors. eta vs tors. theta energy: -3.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -39.625418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.625418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.625418 (E_RNA) where: Base-Base interactions energy: -20.773 where: short stacking energy: -17.872 Base-Backbone interact. energy: -0.001 local terms energy: -18.851813 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -4.041 flat angles P-C4'-P energy: -2.996 tors. eta vs tors. theta energy: -0.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -50.685408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.685408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.685408 (E_RNA) where: Base-Base interactions energy: -24.927 where: short stacking energy: -17.473 Base-Backbone interact. energy: -0.063 local terms energy: -25.695117 where: bonds (distance) C4'-P energy: -4.640 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -4.751 flat angles P-C4'-P energy: -4.027 tors. eta vs tors. theta energy: -5.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -44.745095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.745095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.745095 (E_RNA) where: Base-Base interactions energy: -20.305 where: short stacking energy: -14.664 Base-Backbone interact. energy: -0.002 local terms energy: -24.437810 where: bonds (distance) C4'-P energy: -6.106 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.735 flat angles P-C4'-P energy: -3.830 tors. eta vs tors. theta energy: -3.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -43.436922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.436922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.436922 (E_RNA) where: Base-Base interactions energy: -18.617 where: short stacking energy: -18.617 Base-Backbone interact. energy: -0.088 local terms energy: -24.732143 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -6.199 flat angles P-C4'-P energy: -3.969 tors. eta vs tors. theta energy: -3.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -47.021156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.021156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.021156 (E_RNA) where: Base-Base interactions energy: -22.054 where: short stacking energy: -22.054 Base-Backbone interact. energy: -0.000 local terms energy: -24.966904 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -3.714 flat angles C4'-P-C4' energy: -5.557 flat angles P-C4'-P energy: -4.865 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: 5, replica: 10 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -37.826369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.826369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.826369 (E_RNA) where: Base-Base interactions energy: -15.184 where: short stacking energy: -15.184 Base-Backbone interact. energy: -0.010 local terms energy: -22.632363 where: bonds (distance) C4'-P energy: -4.516 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.719 flat angles P-C4'-P energy: -3.901 tors. eta vs tors. theta energy: -2.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -35.779692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.779692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.779692 (E_RNA) where: Base-Base interactions energy: -12.790 where: short stacking energy: -12.790 Base-Backbone interact. energy: -0.005 local terms energy: -22.985092 where: bonds (distance) C4'-P energy: -4.686 bonds (distance) P-C4' energy: -5.763 flat angles C4'-P-C4' energy: -6.871 flat angles P-C4'-P energy: -4.302 tors. eta vs tors. theta energy: -1.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -41.854398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.854398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.854398 (E_RNA) where: Base-Base interactions energy: -18.499 where: short stacking energy: -18.499 Base-Backbone interact. energy: -0.005 local terms energy: -23.350561 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -4.855 flat angles P-C4'-P energy: -2.227 tors. eta vs tors. theta energy: -4.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -31.058728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.058728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.058728 (E_RNA) where: Base-Base interactions energy: -11.508 where: short stacking energy: -11.508 Base-Backbone interact. energy: -0.085 local terms energy: -19.466395 where: bonds (distance) C4'-P energy: -3.361 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -3.841 flat angles P-C4'-P energy: -4.765 tors. eta vs tors. theta energy: -1.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -37.699599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.699599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.699599 (E_RNA) where: Base-Base interactions energy: -13.659 where: short stacking energy: -13.659 Base-Backbone interact. energy: -0.016 local terms energy: -24.024853 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -5.915 flat angles P-C4'-P energy: -4.879 tors. eta vs tors. theta energy: -2.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -39.394151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.394151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.394151 (E_RNA) where: Base-Base interactions energy: -16.399 where: short stacking energy: -16.399 Base-Backbone interact. energy: -0.001 local terms energy: -22.994374 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -4.032 flat angles C4'-P-C4' energy: -5.207 flat angles P-C4'-P energy: -3.778 tors. eta vs tors. theta energy: -3.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -45.099339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.099339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.099339 (E_RNA) where: Base-Base interactions energy: -21.490 where: short stacking energy: -21.490 Base-Backbone interact. energy: -0.007 local terms energy: -23.601870 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -5.093 flat angles P-C4'-P energy: -0.989 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: 2, replica: 9 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -46.480431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.480431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.480431 (E_RNA) where: Base-Base interactions energy: -17.835 where: short stacking energy: -14.665 Base-Backbone interact. energy: -0.000 local terms energy: -28.645335 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -5.892 flat angles C4'-P-C4' energy: -6.063 flat angles P-C4'-P energy: -5.185 tors. eta vs tors. theta energy: -5.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -41.032452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.032452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.032452 (E_RNA) where: Base-Base interactions energy: -19.378 where: short stacking energy: -12.875 Base-Backbone interact. energy: -0.086 local terms energy: -21.568445 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -5.279 flat angles C4'-P-C4' energy: -3.736 flat angles P-C4'-P energy: -4.628 tors. eta vs tors. theta energy: -1.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -47.803664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.803664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.803664 (E_RNA) where: Base-Base interactions energy: -22.776 where: short stacking energy: -22.776 Base-Backbone interact. energy: -0.000 local terms energy: -25.027474 where: bonds (distance) C4'-P energy: -5.294 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -5.478 flat angles P-C4'-P energy: -3.985 tors. eta vs tors. theta energy: -5.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -37.322325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.322325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.322325 (E_RNA) where: Base-Base interactions energy: -17.558 where: short stacking energy: -17.558 Base-Backbone interact. energy: -0.000 local terms energy: -19.763973 where: bonds (distance) C4'-P energy: -5.025 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -4.583 flat angles P-C4'-P energy: -0.349 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: 6 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -41.153755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.153755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.153755 (E_RNA) where: Base-Base interactions energy: -16.171 where: short stacking energy: -16.171 Base-Backbone interact. energy: -0.027 local terms energy: -24.956166 where: bonds (distance) C4'-P energy: -4.508 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -6.520 flat angles P-C4'-P energy: -3.694 tors. eta vs tors. theta energy: -4.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -38.978708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.978708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.978708 (E_RNA) where: Base-Base interactions energy: -13.478 where: short stacking energy: -13.478 Base-Backbone interact. energy: -0.000 local terms energy: -25.501063 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.470 flat angles P-C4'-P energy: -3.117 tors. eta vs tors. theta energy: -4.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -37.471851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.471851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.471851 (E_RNA) where: Base-Base interactions energy: -17.045 where: short stacking energy: -17.045 Base-Backbone interact. energy: -0.000 local terms energy: -20.426673 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -5.107 flat angles C4'-P-C4' energy: -5.256 flat angles P-C4'-P energy: -0.049 tors. eta vs tors. theta energy: -4.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -41.408771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.408771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.408771 (E_RNA) where: Base-Base interactions energy: -20.399 where: short stacking energy: -12.142 Base-Backbone interact. energy: -0.028 local terms energy: -20.982350 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -4.155 flat angles P-C4'-P energy: -4.251 tors. eta vs tors. theta energy: -0.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -32.745695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.745695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.745695 (E_RNA) where: Base-Base interactions energy: -10.946 where: short stacking energy: -10.946 Base-Backbone interact. energy: -0.069 local terms energy: -21.730293 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -5.936 flat angles P-C4'-P energy: -4.244 tors. eta vs tors. theta energy: -1.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -60.231113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.231113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.231113 (E_RNA) where: Base-Base interactions energy: -38.255 where: short stacking energy: -16.039 Base-Backbone interact. energy: -0.028 local terms energy: -21.947896 where: bonds (distance) C4'-P energy: -5.597 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -5.114 flat angles P-C4'-P energy: -3.930 tors. eta vs tors. theta energy: -0.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -43.499945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.499945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.499945 (E_RNA) where: Base-Base interactions energy: -18.154 where: short stacking energy: -18.154 Base-Backbone interact. energy: -0.001 local terms energy: -25.344733 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.185 flat angles P-C4'-P energy: -4.423 tors. eta vs tors. theta energy: -2.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -37.640530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.640530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.640530 (E_RNA) where: Base-Base interactions energy: -16.100 where: short stacking energy: -13.336 Base-Backbone interact. energy: -0.012 local terms energy: -21.529231 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -4.420 flat angles C4'-P-C4' energy: -5.634 flat angles P-C4'-P energy: -4.085 tors. eta vs tors. theta energy: -2.122 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: 4, replica: 8 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -43.004863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.004863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.004863 (E_RNA) where: Base-Base interactions energy: -18.799 where: short stacking energy: -18.799 Base-Backbone interact. energy: -0.032 local terms energy: -24.174321 where: bonds (distance) C4'-P energy: -4.330 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -4.560 flat angles P-C4'-P energy: -3.811 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: 5, replica: 6 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -44.365498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.365498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.365498 (E_RNA) where: Base-Base interactions energy: -23.109 where: short stacking energy: -17.879 Base-Backbone interact. energy: 0.142 local terms energy: -21.398541 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -3.563 flat angles P-C4'-P energy: -3.063 tors. eta vs tors. theta energy: -2.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -37.386941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.386941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.386941 (E_RNA) where: Base-Base interactions energy: -14.526 where: short stacking energy: -8.252 Base-Backbone interact. energy: -0.002 local terms energy: -22.858886 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.958 flat angles P-C4'-P energy: -4.716 tors. eta vs tors. theta energy: -0.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -41.812701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.812701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.812701 (E_RNA) where: Base-Base interactions energy: -19.291 where: short stacking energy: -19.291 Base-Backbone interact. energy: -0.000 local terms energy: -22.521525 where: bonds (distance) C4'-P energy: -4.292 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.716 flat angles P-C4'-P energy: -1.770 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: 8, replica: 2 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -33.797437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.797437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.797437 (E_RNA) where: Base-Base interactions energy: -12.436 where: short stacking energy: -12.436 Base-Backbone interact. energy: -0.000 local terms energy: -21.361388 where: bonds (distance) C4'-P energy: -3.369 bonds (distance) P-C4' energy: -4.755 flat angles C4'-P-C4' energy: -5.529 flat angles P-C4'-P energy: -4.715 tors. eta vs tors. theta energy: -2.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -35.224528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.224528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.224528 (E_RNA) where: Base-Base interactions energy: -13.195 where: short stacking energy: -13.195 Base-Backbone interact. energy: -0.038 local terms energy: -21.992015 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.357 flat angles P-C4'-P energy: -3.405 tors. eta vs tors. theta energy: -2.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -33.359975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.359975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.359975 (E_RNA) where: Base-Base interactions energy: -13.836 where: short stacking energy: -12.299 Base-Backbone interact. energy: -0.082 local terms energy: -19.441827 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -0.550 flat angles P-C4'-P energy: -3.229 tors. eta vs tors. theta energy: -3.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -63.843166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.843166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.843166 (E_RNA) where: Base-Base interactions energy: -42.024 where: short stacking energy: -18.551 Base-Backbone interact. energy: -0.013 local terms energy: -21.806187 where: bonds (distance) C4'-P energy: -4.210 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.946 flat angles P-C4'-P energy: -2.098 tors. eta vs tors. theta energy: -2.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -42.837408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.837408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.837408 (E_RNA) where: Base-Base interactions energy: -18.957 where: short stacking energy: -12.953 Base-Backbone interact. energy: -0.126 local terms energy: -23.754276 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -3.941 flat angles C4'-P-C4' energy: -4.838 flat angles P-C4'-P energy: -3.954 tors. eta vs tors. theta energy: -4.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -44.080347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.080347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.080347 (E_RNA) where: Base-Base interactions energy: -18.515 where: short stacking energy: -18.515 Base-Backbone interact. energy: -0.000 local terms energy: -25.564571 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.346 flat angles P-C4'-P energy: -3.340 tors. eta vs tors. theta energy: -4.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -43.804555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.804555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.804555 (E_RNA) where: Base-Base interactions energy: -22.386 where: short stacking energy: -18.114 Base-Backbone interact. energy: -0.000 local terms energy: -21.417741 where: bonds (distance) C4'-P energy: -4.407 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -5.245 flat angles P-C4'-P energy: -2.805 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: 5, replica: 6 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -34.974233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.974233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.974233 (E_RNA) where: Base-Base interactions energy: -14.503 where: short stacking energy: -14.503 Base-Backbone interact. energy: -0.044 local terms energy: -20.427674 where: bonds (distance) C4'-P energy: -4.309 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -3.238 flat angles P-C4'-P energy: -3.848 tors. eta vs tors. theta energy: -3.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -45.433801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.433801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.433801 (E_RNA) where: Base-Base interactions energy: -21.567 where: short stacking energy: -21.567 Base-Backbone interact. energy: -0.000 local terms energy: -23.866339 where: bonds (distance) C4'-P energy: -5.055 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.544 flat angles P-C4'-P energy: -4.316 tors. eta vs tors. theta energy: -4.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -37.443981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.443981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.443981 (E_RNA) where: Base-Base interactions energy: -14.992 where: short stacking energy: -14.992 Base-Backbone interact. energy: -0.050 local terms energy: -22.402015 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.517 flat angles P-C4'-P energy: -0.156 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: 4 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -38.254726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.254726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.254726 (E_RNA) where: Base-Base interactions energy: -19.334 where: short stacking energy: -9.683 Base-Backbone interact. energy: -0.001 local terms energy: -18.919502 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -5.699 flat angles C4'-P-C4' energy: -3.349 flat angles P-C4'-P energy: -2.474 tors. eta vs tors. theta energy: -1.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -36.498723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.498723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.498723 (E_RNA) where: Base-Base interactions energy: -16.470 where: short stacking energy: -16.470 Base-Backbone interact. energy: -0.002 local terms energy: -20.026572 where: bonds (distance) C4'-P energy: -3.580 bonds (distance) P-C4' energy: -4.199 flat angles C4'-P-C4' energy: -5.041 flat angles P-C4'-P energy: -4.458 tors. eta vs tors. theta energy: -2.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -35.013225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.013225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.013225 (E_RNA) where: Base-Base interactions energy: -13.426 where: short stacking energy: -12.363 Base-Backbone interact. energy: -0.915 local terms energy: -20.672026 where: bonds (distance) C4'-P energy: -4.577 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.156 flat angles P-C4'-P energy: -3.115 tors. eta vs tors. theta energy: -1.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -65.241812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.241812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.241812 (E_RNA) where: Base-Base interactions energy: -43.234 where: short stacking energy: -19.034 Base-Backbone interact. energy: -0.371 local terms energy: -21.636809 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -4.459 flat angles P-C4'-P energy: -2.114 tors. eta vs tors. theta energy: -3.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -44.944929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.944929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.944929 (E_RNA) where: Base-Base interactions energy: -17.432 where: short stacking energy: -17.432 Base-Backbone interact. energy: -0.078 local terms energy: -27.434606 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.431 flat angles P-C4'-P energy: -4.601 tors. eta vs tors. theta energy: -4.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -48.632354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.632354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.632354 (E_RNA) where: Base-Base interactions energy: -22.124 where: short stacking energy: -22.124 Base-Backbone interact. energy: -0.000 local terms energy: -26.508816 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -4.854 flat angles C4'-P-C4' energy: -4.915 flat angles P-C4'-P energy: -3.968 tors. eta vs tors. theta energy: -6.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -42.744367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.744367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.744367 (E_RNA) where: Base-Base interactions energy: -19.658 where: short stacking energy: -18.033 Base-Backbone interact. energy: -0.001 local terms energy: -23.085454 where: bonds (distance) C4'-P energy: -4.810 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -6.245 flat angles P-C4'-P energy: -2.578 tors. eta vs tors. theta energy: -3.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -37.817016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.817016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.817016 (E_RNA) where: Base-Base interactions energy: -14.409 where: short stacking energy: -10.968 Base-Backbone interact. energy: -0.579 local terms energy: -22.828974 where: bonds (distance) C4'-P energy: -4.864 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.901 flat angles P-C4'-P energy: -3.610 tors. eta vs tors. theta energy: -2.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -36.090643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.090643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.090643 (E_RNA) where: Base-Base interactions energy: -15.012 where: short stacking energy: -9.703 Base-Backbone interact. energy: -0.102 local terms energy: -20.976826 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.072 flat angles P-C4'-P energy: -2.893 tors. eta vs tors. theta energy: -1.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -35.963901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.963901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.963901 (E_RNA) where: Base-Base interactions energy: -16.086 where: short stacking energy: -9.651 Base-Backbone interact. energy: -0.268 local terms energy: -19.609823 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -4.589 flat angles C4'-P-C4' energy: -4.851 flat angles P-C4'-P energy: -4.009 tors. eta vs tors. theta energy: -1.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -41.431909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.431909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.431909 (E_RNA) where: Base-Base interactions energy: -17.638 where: short stacking energy: -17.638 Base-Backbone interact. energy: -0.001 local terms energy: -23.792768 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -5.321 flat angles P-C4'-P energy: -1.635 tors. eta vs tors. theta energy: -5.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -36.699048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.699048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.699048 (E_RNA) where: Base-Base interactions energy: -18.105 where: short stacking energy: -12.880 Base-Backbone interact. energy: -0.013 local terms energy: -18.580621 where: bonds (distance) C4'-P energy: -4.425 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -3.934 flat angles P-C4'-P energy: -4.283 tors. eta vs tors. theta energy: -0.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -33.221947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.221947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.221947 (E_RNA) where: Base-Base interactions energy: -13.260 where: short stacking energy: -13.260 Base-Backbone interact. energy: -0.024 local terms energy: -19.937281 where: bonds (distance) C4'-P energy: -4.913 bonds (distance) P-C4' energy: -4.751 flat angles C4'-P-C4' energy: -5.360 flat angles P-C4'-P energy: -3.654 tors. eta vs tors. theta energy: -1.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -64.920002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.920002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.920002 (E_RNA) where: Base-Base interactions energy: -40.560 where: short stacking energy: -18.454 Base-Backbone interact. energy: -0.791 local terms energy: -23.568966 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -4.717 flat angles P-C4'-P energy: -4.201 tors. eta vs tors. theta energy: -2.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -50.200282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.200282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.200282 (E_RNA) where: Base-Base interactions energy: -25.631 where: short stacking energy: -19.853 Base-Backbone interact. energy: -0.635 local terms energy: -23.933979 where: bonds (distance) C4'-P energy: -2.464 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -6.170 flat angles P-C4'-P energy: -4.241 tors. eta vs tors. theta energy: -3.918 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: 10 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -49.090827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.090827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.090827 (E_RNA) where: Base-Base interactions energy: -24.681 where: short stacking energy: -19.199 Base-Backbone interact. energy: -0.089 local terms energy: -24.320587 where: bonds (distance) C4'-P energy: -5.207 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -5.623 flat angles P-C4'-P energy: -1.654 tors. eta vs tors. theta energy: -4.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -46.131822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.131822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.131822 (E_RNA) where: Base-Base interactions energy: -22.516 where: short stacking energy: -22.516 Base-Backbone interact. energy: -0.000 local terms energy: -23.615474 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -5.295 flat angles P-C4'-P energy: -2.624 tors. eta vs tors. theta energy: -5.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -41.436880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.436880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.436880 (E_RNA) where: Base-Base interactions energy: -14.234 where: short stacking energy: -14.234 Base-Backbone interact. energy: -0.100 local terms energy: -27.103754 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.340 flat angles P-C4'-P energy: -4.337 tors. eta vs tors. theta energy: -3.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -40.619927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.619927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.619927 (E_RNA) where: Base-Base interactions energy: -14.678 where: short stacking energy: -14.678 Base-Backbone interact. energy: -0.000 local terms energy: -25.941534 where: bonds (distance) C4'-P energy: -4.143 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -5.673 flat angles P-C4'-P energy: -3.786 tors. eta vs tors. theta energy: -6.151 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: 6 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -32.817451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.817451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.817451 (E_RNA) where: Base-Base interactions energy: -15.498 where: short stacking energy: -10.967 Base-Backbone interact. energy: -0.056 local terms energy: -17.263477 where: bonds (distance) C4'-P energy: -3.120 bonds (distance) P-C4' energy: -3.714 flat angles C4'-P-C4' energy: -5.744 flat angles P-C4'-P energy: -4.196 tors. eta vs tors. theta energy: -0.489 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: 1 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -39.190357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.190357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.190357 (E_RNA) where: Base-Base interactions energy: -14.120 where: short stacking energy: -14.120 Base-Backbone interact. energy: -0.000 local terms energy: -25.070700 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -5.531 flat angles P-C4'-P energy: -3.451 tors. eta vs tors. theta energy: -4.428 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: 3 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -37.749960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.749960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.749960 (E_RNA) where: Base-Base interactions energy: -16.697 where: short stacking energy: -10.577 Base-Backbone interact. energy: -0.008 local terms energy: -21.044278 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -5.881 flat angles P-C4'-P energy: -3.995 tors. eta vs tors. theta energy: 0.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -30.570336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.570336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.570336 (E_RNA) where: Base-Base interactions energy: -10.346 where: short stacking energy: -10.346 Base-Backbone interact. energy: -0.009 local terms energy: -20.215377 where: bonds (distance) C4'-P energy: -4.151 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.653 flat angles P-C4'-P energy: -1.617 tors. eta vs tors. theta energy: -2.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -48.978826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.978826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.978826 (E_RNA) where: Base-Base interactions energy: -23.968 where: short stacking energy: -16.622 Base-Backbone interact. energy: -0.001 local terms energy: -25.009412 where: bonds (distance) C4'-P energy: -4.930 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.665 flat angles P-C4'-P energy: -3.935 tors. eta vs tors. theta energy: -3.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -65.641341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.641341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.641341 (E_RNA) where: Base-Base interactions energy: -39.911 where: short stacking energy: -18.182 Base-Backbone interact. energy: -0.001 local terms energy: -25.729683 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -5.079 flat angles P-C4'-P energy: -4.126 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: 3, replica: 5 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -50.007077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.007077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.007077 (E_RNA) where: Base-Base interactions energy: -23.434 where: short stacking energy: -23.434 Base-Backbone interact. energy: -0.000 local terms energy: -26.572865 where: bonds (distance) C4'-P energy: -4.980 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -6.255 flat angles P-C4'-P energy: -4.295 tors. eta vs tors. theta energy: -5.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -39.438108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.438108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.438108 (E_RNA) where: Base-Base interactions energy: -17.130 where: short stacking energy: -17.130 Base-Backbone interact. energy: -0.041 local terms energy: -22.266426 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -5.112 flat angles C4'-P-C4' energy: -4.893 flat angles P-C4'-P energy: -4.627 tors. eta vs tors. theta energy: -2.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -47.298480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.298480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.298480 (E_RNA) where: Base-Base interactions energy: -22.262 where: short stacking energy: -13.481 Base-Backbone interact. energy: -0.000 local terms energy: -25.036222 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -3.800 flat angles P-C4'-P energy: -4.327 tors. eta vs tors. theta energy: -5.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -38.687187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.687187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.687187 (E_RNA) where: Base-Base interactions energy: -16.220 where: short stacking energy: -16.220 Base-Backbone interact. energy: -0.000 local terms energy: -22.467368 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -5.085 flat angles C4'-P-C4' energy: -5.538 flat angles P-C4'-P energy: -1.939 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: 1 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -44.990955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.990955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.990955 (E_RNA) where: Base-Base interactions energy: -19.753 where: short stacking energy: -19.753 Base-Backbone interact. energy: -0.000 local terms energy: -25.238365 where: bonds (distance) C4'-P energy: -4.587 bonds (distance) P-C4' energy: -4.195 flat angles C4'-P-C4' energy: -5.529 flat angles P-C4'-P energy: -4.052 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: 8, replica: 6 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -38.924066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.924066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.924066 (E_RNA) where: Base-Base interactions energy: -19.620 where: short stacking energy: -19.620 Base-Backbone interact. energy: -0.020 local terms energy: -19.283892 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -4.356 flat angles C4'-P-C4' energy: -1.547 flat angles P-C4'-P energy: -1.456 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: 9, replica: 2 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -33.606677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.606677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.606677 (E_RNA) where: Base-Base interactions energy: -12.567 where: short stacking energy: -12.567 Base-Backbone interact. energy: -0.002 local terms energy: -21.037628 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -5.275 flat angles P-C4'-P energy: -3.244 tors. eta vs tors. theta energy: -0.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -34.184473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.184473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.184473 (E_RNA) where: Base-Base interactions energy: -13.126 where: short stacking energy: -13.126 Base-Backbone interact. energy: -0.000 local terms energy: -21.058690 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -2.938 flat angles P-C4'-P energy: -3.648 tors. eta vs tors. theta energy: -3.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -54.718353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.718353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.718353 (E_RNA) where: Base-Base interactions energy: -25.284 where: short stacking energy: -25.284 Base-Backbone interact. energy: -0.000 local terms energy: -29.434249 where: bonds (distance) C4'-P energy: -4.913 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -6.428 flat angles P-C4'-P energy: -4.386 tors. eta vs tors. theta energy: -7.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -67.745087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.745087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.745087 (E_RNA) where: Base-Base interactions energy: -43.756 where: short stacking energy: -20.409 Base-Backbone interact. energy: -0.002 local terms energy: -23.987494 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -3.274 flat angles P-C4'-P energy: -4.531 tors. eta vs tors. theta energy: -4.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -52.354784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.354784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.354784 (E_RNA) where: Base-Base interactions energy: -26.639 where: short stacking energy: -26.639 Base-Backbone interact. energy: -0.000 local terms energy: -25.715919 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.655 flat angles P-C4'-P energy: -2.095 tors. eta vs tors. theta energy: -7.458 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: 4 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -44.528540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.528540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.528540 (E_RNA) where: Base-Base interactions energy: -18.206 where: short stacking energy: -12.240 Base-Backbone interact. energy: -0.085 local terms energy: -26.237511 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -6.500 flat angles P-C4'-P energy: -5.434 tors. eta vs tors. theta energy: -1.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -42.289602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.289602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.289602 (E_RNA) where: Base-Base interactions energy: -18.728 where: short stacking energy: -18.728 Base-Backbone interact. energy: -0.010 local terms energy: -23.552106 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -3.766 flat angles P-C4'-P energy: -3.455 tors. eta vs tors. theta energy: -3.673 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: 1 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -39.247374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.247374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.247374 (E_RNA) where: Base-Base interactions energy: -15.362 where: short stacking energy: -12.021 Base-Backbone interact. energy: -0.027 local terms energy: -23.857903 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.680 flat angles P-C4'-P energy: -3.081 tors. eta vs tors. theta energy: -1.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -35.148756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.148756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.148756 (E_RNA) where: Base-Base interactions energy: -19.704 where: short stacking energy: -3.765 Base-Backbone interact. energy: -0.334 local terms energy: -15.110082 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -1.917 flat angles P-C4'-P energy: -4.402 tors. eta vs tors. theta energy: 2.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -38.233722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.233722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.233722 (E_RNA) where: Base-Base interactions energy: -15.487 where: short stacking energy: -12.826 Base-Backbone interact. energy: -0.099 local terms energy: -22.647443 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -6.149 flat angles C4'-P-C4' energy: -5.292 flat angles P-C4'-P energy: -3.675 tors. eta vs tors. theta energy: -1.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -38.636835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.636835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.636835 (E_RNA) where: Base-Base interactions energy: -19.436 where: short stacking energy: -19.436 Base-Backbone interact. energy: -0.000 local terms energy: -19.201119 where: bonds (distance) C4'-P energy: -1.994 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.668 flat angles P-C4'-P energy: -1.531 tors. eta vs tors. theta energy: -4.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -31.621366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.621366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.621366 (E_RNA) where: Base-Base interactions energy: -10.375 where: short stacking energy: -8.951 Base-Backbone interact. energy: -0.005 local terms energy: -21.241778 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -3.576 flat angles P-C4'-P energy: -3.271 tors. eta vs tors. theta energy: -3.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -66.247533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.247533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.247533 (E_RNA) where: Base-Base interactions energy: -41.070 where: short stacking energy: -18.428 Base-Backbone interact. energy: -0.378 local terms energy: -24.799242 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -5.597 flat angles P-C4'-P energy: -3.972 tors. eta vs tors. theta energy: -3.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -44.124039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.124039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.124039 (E_RNA) where: Base-Base interactions energy: -18.798 where: short stacking energy: -18.798 Base-Backbone interact. energy: -0.000 local terms energy: -25.325365 where: bonds (distance) C4'-P energy: -3.477 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -6.169 flat angles P-C4'-P energy: -4.622 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: 3, replica: 4 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -40.667285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.667285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.667285 (E_RNA) where: Base-Base interactions energy: -19.233 where: short stacking energy: -8.949 Base-Backbone interact. energy: -0.084 local terms energy: -21.350633 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -6.715 flat angles P-C4'-P energy: -3.324 tors. eta vs tors. theta energy: 0.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -39.033744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.033744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.033744 (E_RNA) where: Base-Base interactions energy: -15.174 where: short stacking energy: -14.097 Base-Backbone interact. energy: -0.454 local terms energy: -23.405264 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.678 flat angles P-C4'-P energy: -4.119 tors. eta vs tors. theta energy: -1.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -35.062780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.062780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.062780 (E_RNA) where: Base-Base interactions energy: -17.037 where: short stacking energy: -17.037 Base-Backbone interact. energy: -0.001 local terms energy: -18.024735 where: bonds (distance) C4'-P energy: -2.323 bonds (distance) P-C4' energy: -4.585 flat angles C4'-P-C4' energy: -5.803 flat angles P-C4'-P energy: -4.173 tors. eta vs tors. theta energy: -1.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -41.129433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.129433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.129433 (E_RNA) where: Base-Base interactions energy: -18.137 where: short stacking energy: -13.949 Base-Backbone interact. energy: -0.071 local terms energy: -22.921497 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -5.449 flat angles P-C4'-P energy: -4.109 tors. eta vs tors. theta energy: -1.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -40.955091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.955091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.955091 (E_RNA) where: Base-Base interactions energy: -15.745 where: short stacking energy: -15.745 Base-Backbone interact. energy: -0.000 local terms energy: -25.209784 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.275 flat angles P-C4'-P energy: -2.095 tors. eta vs tors. theta energy: -5.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -46.765274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.765274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.765274 (E_RNA) where: Base-Base interactions energy: -20.568 where: short stacking energy: -20.568 Base-Backbone interact. energy: -0.000 local terms energy: -26.197575 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -6.074 flat angles P-C4'-P energy: -3.589 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: 9, replica: 3 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -29.516367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.516367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.516367 (E_RNA) where: Base-Base interactions energy: -9.072 where: short stacking energy: -9.072 Base-Backbone interact. energy: -0.007 local terms energy: -20.437712 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -5.576 flat angles C4'-P-C4' energy: -4.319 flat angles P-C4'-P energy: -4.154 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: 10, replica: 6 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -33.333272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.333272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.333272 (E_RNA) where: Base-Base interactions energy: -11.580 where: short stacking energy: -11.580 Base-Backbone interact. energy: -0.038 local terms energy: -21.715905 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.789 flat angles P-C4'-P energy: -4.357 tors. eta vs tors. theta energy: -0.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -65.001936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.001936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.001936 (E_RNA) where: Base-Base interactions energy: -42.746 where: short stacking energy: -16.609 Base-Backbone interact. energy: -0.472 local terms energy: -21.783891 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -2.819 flat angles P-C4'-P energy: -3.589 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: 2, replica: 4 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -61.297350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.297350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.297350 (E_RNA) where: Base-Base interactions energy: -39.383 where: short stacking energy: -17.986 Base-Backbone interact. energy: -0.015 local terms energy: -21.899351 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -5.631 flat angles C4'-P-C4' energy: -5.961 flat angles P-C4'-P energy: -1.977 tors. eta vs tors. theta energy: -2.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -41.764319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.764319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.764319 (E_RNA) where: Base-Base interactions energy: -16.740 where: short stacking energy: -16.740 Base-Backbone interact. energy: -0.380 local terms energy: -24.643907 where: bonds (distance) C4'-P energy: -4.292 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -5.286 flat angles P-C4'-P energy: -3.821 tors. eta vs tors. theta energy: -5.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -38.869994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.869994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.869994 (E_RNA) where: Base-Base interactions energy: -13.465 where: short stacking energy: -13.465 Base-Backbone interact. energy: -0.000 local terms energy: -25.404318 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.532 flat angles P-C4'-P energy: -4.465 tors. eta vs tors. theta energy: -3.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -39.260706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.260706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.260706 (E_RNA) where: Base-Base interactions energy: -16.075 where: short stacking energy: -16.075 Base-Backbone interact. energy: -0.000 local terms energy: -23.185317 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -5.861 flat angles C4'-P-C4' energy: -5.328 flat angles P-C4'-P energy: -2.541 tors. eta vs tors. theta energy: -4.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -33.607761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.607761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.607761 (E_RNA) where: Base-Base interactions energy: -12.469 where: short stacking energy: -11.616 Base-Backbone interact. energy: -0.492 local terms energy: -20.646185 where: bonds (distance) C4'-P energy: -3.655 bonds (distance) P-C4' energy: -4.920 flat angles C4'-P-C4' energy: -5.764 flat angles P-C4'-P energy: -4.189 tors. eta vs tors. theta energy: -2.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -35.514917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.514917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.514917 (E_RNA) where: Base-Base interactions energy: -14.384 where: short stacking energy: -14.384 Base-Backbone interact. energy: -0.000 local terms energy: -21.131119 where: bonds (distance) C4'-P energy: -4.570 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -5.708 flat angles P-C4'-P energy: -3.140 tors. eta vs tors. theta energy: -1.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -36.747979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.747979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.747979 (E_RNA) where: Base-Base interactions energy: -13.322 where: short stacking energy: -13.322 Base-Backbone interact. energy: -0.000 local terms energy: -23.425705 where: bonds (distance) C4'-P energy: -2.818 bonds (distance) P-C4' energy: -6.628 flat angles C4'-P-C4' energy: -6.140 flat angles P-C4'-P energy: -4.558 tors. eta vs tors. theta energy: -3.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -33.356356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.356356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.356356 (E_RNA) where: Base-Base interactions energy: -14.223 where: short stacking energy: -14.223 Base-Backbone interact. energy: -0.058 local terms energy: -19.075525 where: bonds (distance) C4'-P energy: -4.835 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.095 flat angles P-C4'-P energy: -0.357 tors. eta vs tors. theta energy: -1.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -31.368830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.368830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.368830 (E_RNA) where: Base-Base interactions energy: -13.260 where: short stacking energy: -13.260 Base-Backbone interact. energy: -0.025 local terms energy: -18.083183 where: bonds (distance) C4'-P energy: -2.483 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -2.230 flat angles P-C4'-P energy: -4.983 tors. eta vs tors. theta energy: -1.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -61.150276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.150276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.150276 (E_RNA) where: Base-Base interactions energy: -39.067 where: short stacking energy: -20.225 Base-Backbone interact. energy: 0.162 local terms energy: -22.245982 where: bonds (distance) C4'-P energy: -4.194 bonds (distance) P-C4' energy: -5.868 flat angles C4'-P-C4' energy: -5.977 flat angles P-C4'-P energy: -5.019 tors. eta vs tors. theta energy: -1.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -51.748698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.748698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.748698 (E_RNA) where: Base-Base interactions energy: -24.243 where: short stacking energy: -24.243 Base-Backbone interact. energy: -0.000 local terms energy: -27.505533 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -5.410 flat angles C4'-P-C4' energy: -4.626 flat angles P-C4'-P energy: -4.480 tors. eta vs tors. theta energy: -7.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -39.885088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.885088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.885088 (E_RNA) where: Base-Base interactions energy: -15.549 where: short stacking energy: -15.549 Base-Backbone interact. energy: -0.000 local terms energy: -24.336203 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.092 flat angles P-C4'-P energy: -1.699 tors. eta vs tors. theta energy: -5.184 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: 8 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -33.969323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.969323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.969323 (E_RNA) where: Base-Base interactions energy: -10.523 where: short stacking energy: -7.262 Base-Backbone interact. energy: -0.013 local terms energy: -23.433088 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -5.960 flat angles P-C4'-P energy: -4.999 tors. eta vs tors. theta energy: -0.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -34.411766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.411766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.411766 (E_RNA) where: Base-Base interactions energy: -11.746 where: short stacking energy: -11.746 Base-Backbone interact. energy: -0.000 local terms energy: -22.665681 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -3.812 flat angles P-C4'-P energy: -4.456 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: 6, replica: 5 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -37.985771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.985771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.985771 (E_RNA) where: Base-Base interactions energy: -14.512 where: short stacking energy: -14.512 Base-Backbone interact. energy: -0.000 local terms energy: -23.473481 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -6.080 flat angles P-C4'-P energy: -3.428 tors. eta vs tors. theta energy: -1.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -34.206448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.206448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.206448 (E_RNA) where: Base-Base interactions energy: -14.721 where: short stacking energy: -14.721 Base-Backbone interact. energy: -0.087 local terms energy: -19.398259 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -4.420 flat angles P-C4'-P energy: -4.212 tors. eta vs tors. theta energy: 0.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -36.979130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.979130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.979130 (E_RNA) where: Base-Base interactions energy: -20.204 where: short stacking energy: -10.811 Base-Backbone interact. energy: -0.004 local terms energy: -16.771877 where: bonds (distance) C4'-P energy: -5.306 bonds (distance) P-C4' energy: -3.730 flat angles C4'-P-C4' energy: -3.164 flat angles P-C4'-P energy: -3.329 tors. eta vs tors. theta energy: -1.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -35.170457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.170457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.170457 (E_RNA) where: Base-Base interactions energy: -10.875 where: short stacking energy: -10.875 Base-Backbone interact. energy: -0.040 local terms energy: -24.255470 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -5.032 flat angles P-C4'-P energy: -4.483 tors. eta vs tors. theta energy: -3.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -35.488595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.488595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.488595 (E_RNA) where: Base-Base interactions energy: -14.831 where: short stacking energy: -14.831 Base-Backbone interact. energy: -0.004 local terms energy: -20.652827 where: bonds (distance) C4'-P energy: -3.709 bonds (distance) P-C4' energy: -5.152 flat angles C4'-P-C4' energy: -3.814 flat angles P-C4'-P energy: -4.783 tors. eta vs tors. theta energy: -3.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -57.490017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.490017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.490017 (E_RNA) where: Base-Base interactions energy: -36.059 where: short stacking energy: -15.375 Base-Backbone interact. energy: -0.016 local terms energy: -21.414955 where: bonds (distance) C4'-P energy: -5.149 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -6.168 flat angles P-C4'-P energy: -2.401 tors. eta vs tors. theta energy: -2.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -46.279387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.279387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.279387 (E_RNA) where: Base-Base interactions energy: -25.940 where: short stacking energy: -13.497 Base-Backbone interact. energy: -0.178 local terms energy: -20.160809 where: bonds (distance) C4'-P energy: -4.889 bonds (distance) P-C4' energy: -5.916 flat angles C4'-P-C4' energy: -4.683 flat angles P-C4'-P energy: -3.582 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: 3, replica: 4 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -52.714667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.714667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.714667 (E_RNA) where: Base-Base interactions energy: -20.763 where: short stacking energy: -20.763 Base-Backbone interact. energy: -0.000 local terms energy: -31.951175 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.213 flat angles P-C4'-P energy: -4.422 tors. eta vs tors. theta energy: -7.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -44.930739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.930739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.930739 (E_RNA) where: Base-Base interactions energy: -16.336 where: short stacking energy: -16.336 Base-Backbone interact. energy: -0.000 local terms energy: -28.594601 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.553 flat angles P-C4'-P energy: -4.750 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: 5, replica: 10 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -43.014130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.014130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.014130 (E_RNA) where: Base-Base interactions energy: -19.652 where: short stacking energy: -19.652 Base-Backbone interact. energy: -0.000 local terms energy: -23.362151 where: bonds (distance) C4'-P energy: -4.135 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -2.532 flat angles P-C4'-P energy: -5.584 tors. eta vs tors. theta energy: -3.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -38.243462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.243462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.243462 (E_RNA) where: Base-Base interactions energy: -18.760 where: short stacking energy: -12.997 Base-Backbone interact. energy: -0.036 local terms energy: -19.446980 where: bonds (distance) C4'-P energy: -5.393 bonds (distance) P-C4' energy: -3.346 flat angles C4'-P-C4' energy: -5.325 flat angles P-C4'-P energy: -4.900 tors. eta vs tors. theta energy: -0.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -36.018566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.018566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.018566 (E_RNA) where: Base-Base interactions energy: -14.674 where: short stacking energy: -10.661 Base-Backbone interact. energy: -0.102 local terms energy: -21.242668 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.088 flat angles P-C4'-P energy: -3.129 tors. eta vs tors. theta energy: -0.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -39.689659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.689659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.689659 (E_RNA) where: Base-Base interactions energy: -20.180 where: short stacking energy: -5.898 Base-Backbone interact. energy: -0.003 local terms energy: -19.506238 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.101 flat angles P-C4'-P energy: -0.410 tors. eta vs tors. theta energy: -1.186 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: 2 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -35.592219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.592219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.592219 (E_RNA) where: Base-Base interactions energy: -12.431 where: short stacking energy: -12.431 Base-Backbone interact. energy: -0.001 local terms energy: -23.161008 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.203 flat angles C4'-P-C4' energy: -5.212 flat angles P-C4'-P energy: -4.563 tors. eta vs tors. theta energy: -1.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -35.771498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.771498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.771498 (E_RNA) where: Base-Base interactions energy: -15.007 where: short stacking energy: -15.007 Base-Backbone interact. energy: -0.100 local terms energy: -20.664202 where: bonds (distance) C4'-P energy: -6.023 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -5.217 flat angles P-C4'-P energy: -1.771 tors. eta vs tors. theta energy: -1.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -54.816240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.816240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.816240 (E_RNA) where: Base-Base interactions energy: -24.618 where: short stacking energy: -24.618 Base-Backbone interact. energy: -0.000 local terms energy: -30.198613 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -6.329 flat angles P-C4'-P energy: -3.849 tors. eta vs tors. theta energy: -7.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -49.931734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.931734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.931734 (E_RNA) where: Base-Base interactions energy: -20.313 where: short stacking energy: -20.313 Base-Backbone interact. energy: -0.000 local terms energy: -29.618678 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -6.180 flat angles P-C4'-P energy: -4.724 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: 3, replica: 8 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -50.182831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.182831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.182831 (E_RNA) where: Base-Base interactions energy: -24.076 where: short stacking energy: -19.921 Base-Backbone interact. energy: -0.000 local terms energy: -26.107074 where: bonds (distance) C4'-P energy: -3.572 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -6.292 flat angles P-C4'-P energy: -3.770 tors. eta vs tors. theta energy: -6.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -48.876981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.876981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.876981 (E_RNA) where: Base-Base interactions energy: -21.247 where: short stacking energy: -21.247 Base-Backbone interact. energy: -0.000 local terms energy: -27.630344 where: bonds (distance) C4'-P energy: -6.254 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -5.761 flat angles P-C4'-P energy: -4.728 tors. eta vs tors. theta energy: -5.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -37.223042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.223042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.223042 (E_RNA) where: Base-Base interactions energy: -15.572 where: short stacking energy: -12.692 Base-Backbone interact. energy: -0.018 local terms energy: -21.632764 where: bonds (distance) C4'-P energy: -5.063 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -5.687 flat angles P-C4'-P energy: -2.171 tors. eta vs tors. theta energy: -2.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -37.658869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.658869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.658869 (E_RNA) where: Base-Base interactions energy: -14.327 where: short stacking energy: -14.327 Base-Backbone interact. energy: -0.000 local terms energy: -23.332059 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -5.333 flat angles P-C4'-P energy: -3.858 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: 7, replica: 6 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -35.150856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.150856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.150856 (E_RNA) where: Base-Base interactions energy: -13.786 where: short stacking energy: -13.786 Base-Backbone interact. energy: -0.000 local terms energy: -21.365098 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -3.989 flat angles P-C4'-P energy: -4.475 tors. eta vs tors. theta energy: -1.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -33.067683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.067683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.067683 (E_RNA) where: Base-Base interactions energy: -12.334 where: short stacking energy: -8.661 Base-Backbone interact. energy: -0.157 local terms energy: -20.576730 where: bonds (distance) C4'-P energy: -5.042 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -5.618 flat angles P-C4'-P energy: -3.091 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: 9, replica: 7 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -41.475512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.475512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.475512 (E_RNA) where: Base-Base interactions energy: -17.264 where: short stacking energy: -17.264 Base-Backbone interact. energy: -0.001 local terms energy: -24.210370 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -6.061 flat angles P-C4'-P energy: -3.223 tors. eta vs tors. theta energy: -3.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -34.052016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.052016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.052016 (E_RNA) where: Base-Base interactions energy: -11.747 where: short stacking energy: -11.747 Base-Backbone interact. energy: -0.024 local terms energy: -22.281010 where: bonds (distance) C4'-P energy: -4.985 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -5.565 flat angles P-C4'-P energy: -4.820 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: 1, replica: 9 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -48.679514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.679514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.679514 (E_RNA) where: Base-Base interactions energy: -22.360 where: short stacking energy: -22.360 Base-Backbone interact. energy: -0.082 local terms energy: -26.237755 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.868 flat angles C4'-P-C4' energy: -5.990 flat angles P-C4'-P energy: -4.839 tors. eta vs tors. theta energy: -3.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -47.667976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.667976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.667976 (E_RNA) where: Base-Base interactions energy: -23.969 where: short stacking energy: -23.969 Base-Backbone interact. energy: -0.000 local terms energy: -23.698645 where: bonds (distance) C4'-P energy: -1.787 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -6.500 flat angles P-C4'-P energy: -4.325 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: 3, replica: 8 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -42.894542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.894542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.894542 (E_RNA) where: Base-Base interactions energy: -15.742 where: short stacking energy: -15.742 Base-Backbone interact. energy: -0.025 local terms energy: -27.126807 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.400 flat angles P-C4'-P energy: -4.261 tors. eta vs tors. theta energy: -4.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -42.659255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.659255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.659255 (E_RNA) where: Base-Base interactions energy: -19.543 where: short stacking energy: -19.543 Base-Backbone interact. energy: -0.000 local terms energy: -23.115755 where: bonds (distance) C4'-P energy: -4.815 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.007 flat angles P-C4'-P energy: -2.042 tors. eta vs tors. theta energy: -3.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -34.486136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.486136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.486136 (E_RNA) where: Base-Base interactions energy: -12.893 where: short stacking energy: -12.893 Base-Backbone interact. energy: -0.010 local terms energy: -21.583765 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -4.343 flat angles P-C4'-P energy: -4.399 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: 6, replica: 6 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -34.064050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.064050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.064050 (E_RNA) where: Base-Base interactions energy: -16.051 where: short stacking energy: -7.475 Base-Backbone interact. energy: -0.007 local terms energy: -18.005339 where: bonds (distance) C4'-P energy: -3.887 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.149 flat angles P-C4'-P energy: -2.672 tors. eta vs tors. theta energy: 0.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -36.969192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.969192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.969192 (E_RNA) where: Base-Base interactions energy: -19.147 where: short stacking energy: -13.534 Base-Backbone interact. energy: -0.004 local terms energy: -17.817924 where: bonds (distance) C4'-P energy: -4.682 bonds (distance) P-C4' energy: -4.227 flat angles C4'-P-C4' energy: -3.878 flat angles P-C4'-P energy: -4.640 tors. eta vs tors. theta energy: -0.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -31.448028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.448028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.448028 (E_RNA) where: Base-Base interactions energy: -9.437 where: short stacking energy: -9.437 Base-Backbone interact. energy: -0.000 local terms energy: -22.010937 where: bonds (distance) C4'-P energy: -4.631 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.895 flat angles P-C4'-P energy: -3.410 tors. eta vs tors. theta energy: -1.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -35.257686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.257686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.257686 (E_RNA) where: Base-Base interactions energy: -13.634 where: short stacking energy: -13.634 Base-Backbone interact. energy: -0.162 local terms energy: -21.462359 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.749 flat angles P-C4'-P energy: -2.966 tors. eta vs tors. theta energy: -0.709 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: 2 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -32.158914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.158914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.158914 (E_RNA) where: Base-Base interactions energy: -16.746 where: short stacking energy: -5.859 Base-Backbone interact. energy: -0.131 local terms energy: -15.282044 where: bonds (distance) C4'-P energy: -2.223 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -6.586 flat angles P-C4'-P energy: -4.061 tors. eta vs tors. theta energy: 3.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -46.281494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.281494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.281494 (E_RNA) where: Base-Base interactions energy: -21.716 where: short stacking energy: -21.279 Base-Backbone interact. energy: -0.001 local terms energy: -24.564186 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -5.179 flat angles P-C4'-P energy: -2.077 tors. eta vs tors. theta energy: -5.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -52.058013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.058013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.058013 (E_RNA) where: Base-Base interactions energy: -24.635 where: short stacking energy: -24.635 Base-Backbone interact. energy: -0.000 local terms energy: -27.423058 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -4.110 flat angles C4'-P-C4' energy: -5.783 flat angles P-C4'-P energy: -4.433 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: 3, replica: 10 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -47.408515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.408515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.408515 (E_RNA) where: Base-Base interactions energy: -22.747 where: short stacking energy: -22.747 Base-Backbone interact. energy: -0.000 local terms energy: -24.661318 where: bonds (distance) C4'-P energy: -4.872 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -5.054 flat angles P-C4'-P energy: -3.911 tors. eta vs tors. theta energy: -4.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -55.579346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.579346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.579346 (E_RNA) where: Base-Base interactions energy: -27.030 where: short stacking energy: -27.030 Base-Backbone interact. energy: -0.000 local terms energy: -28.549550 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -3.870 flat angles P-C4'-P energy: -4.510 tors. eta vs tors. theta energy: -7.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -38.599307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.599307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.599307 (E_RNA) where: Base-Base interactions energy: -14.444 where: short stacking energy: -14.444 Base-Backbone interact. energy: 0.170 local terms energy: -24.325141 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -5.867 flat angles P-C4'-P energy: -4.546 tors. eta vs tors. theta energy: -1.794 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: 4 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -39.344806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.344806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.344806 (E_RNA) where: Base-Base interactions energy: -18.336 where: short stacking energy: -18.336 Base-Backbone interact. energy: -0.002 local terms energy: -21.006643 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -4.684 flat angles C4'-P-C4' energy: -5.803 flat angles P-C4'-P energy: -2.655 tors. eta vs tors. theta energy: -2.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -38.092455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.092455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.092455 (E_RNA) where: Base-Base interactions energy: -15.451 where: short stacking energy: -15.451 Base-Backbone interact. energy: -0.010 local terms energy: -22.631819 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -4.691 flat angles C4'-P-C4' energy: -5.074 flat angles P-C4'-P energy: -3.096 tors. eta vs tors. theta energy: -3.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -29.682959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.682959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.682959 (E_RNA) where: Base-Base interactions energy: -13.372 where: short stacking energy: -13.372 Base-Backbone interact. energy: -0.098 local terms energy: -16.212992 where: bonds (distance) C4'-P energy: -3.626 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -1.522 flat angles P-C4'-P energy: -4.265 tors. eta vs tors. theta energy: -1.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -39.158607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.158607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.158607 (E_RNA) where: Base-Base interactions energy: -20.048 where: short stacking energy: -15.313 Base-Backbone interact. energy: -0.000 local terms energy: -19.110519 where: bonds (distance) C4'-P energy: -2.578 bonds (distance) P-C4' energy: -4.199 flat angles C4'-P-C4' energy: -4.417 flat angles P-C4'-P energy: -3.449 tors. eta vs tors. theta energy: -4.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -34.471649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.471649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.471649 (E_RNA) where: Base-Base interactions energy: -11.115 where: short stacking energy: -11.115 Base-Backbone interact. energy: -0.000 local terms energy: -23.356475 where: bonds (distance) C4'-P energy: -5.393 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -3.109 flat angles P-C4'-P energy: -4.395 tors. eta vs tors. theta energy: -3.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -50.412251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.412251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.412251 (E_RNA) where: Base-Base interactions energy: -22.947 where: short stacking energy: -22.947 Base-Backbone interact. energy: -0.000 local terms energy: -27.465680 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -4.204 flat angles P-C4'-P energy: -5.524 tors. eta vs tors. theta energy: -4.778 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: 1 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -50.986215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.986215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.986215 (E_RNA) where: Base-Base interactions energy: -21.777 where: short stacking energy: -21.777 Base-Backbone interact. energy: -0.000 local terms energy: -29.208841 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -6.283 flat angles P-C4'-P energy: -5.078 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: 3, replica: 10 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -47.602547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.602547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.602547 (E_RNA) where: Base-Base interactions energy: -21.694 where: short stacking energy: -21.694 Base-Backbone interact. energy: -0.000 local terms energy: -25.908339 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -5.110 flat angles C4'-P-C4' energy: -5.207 flat angles P-C4'-P energy: -4.333 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: 4, replica: 8 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -42.345695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.345695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.345695 (E_RNA) where: Base-Base interactions energy: -18.183 where: short stacking energy: -18.183 Base-Backbone interact. energy: -0.000 local terms energy: -24.162244 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.824 flat angles P-C4'-P energy: -2.913 tors. eta vs tors. theta energy: -3.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -45.020772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.020772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.020772 (E_RNA) where: Base-Base interactions energy: -20.818 where: short stacking energy: -19.030 Base-Backbone interact. energy: -0.337 local terms energy: -23.865654 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -4.426 flat angles P-C4'-P energy: -1.416 tors. eta vs tors. theta energy: -5.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -33.437688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.437688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.437688 (E_RNA) where: Base-Base interactions energy: -13.469 where: short stacking energy: -10.364 Base-Backbone interact. energy: -0.035 local terms energy: -19.934116 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -4.850 flat angles C4'-P-C4' energy: -4.458 flat angles P-C4'-P energy: -4.328 tors. eta vs tors. theta energy: -0.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -39.363838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.363838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.363838 (E_RNA) where: Base-Base interactions energy: -13.503 where: short stacking energy: -13.503 Base-Backbone interact. energy: -0.000 local terms energy: -25.861068 where: bonds (distance) C4'-P energy: -5.393 bonds (distance) P-C4' energy: -5.573 flat angles C4'-P-C4' energy: -5.654 flat angles P-C4'-P energy: -5.099 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: 8, replica: 2 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -29.760161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.760161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.760161 (E_RNA) where: Base-Base interactions energy: -9.011 where: short stacking energy: -9.011 Base-Backbone interact. energy: -0.123 local terms energy: -20.626255 where: bonds (distance) C4'-P energy: -4.744 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.714 flat angles P-C4'-P energy: -4.454 tors. eta vs tors. theta energy: 1.422 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: 3 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -38.443772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.443772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.443772 (E_RNA) where: Base-Base interactions energy: -15.093 where: short stacking energy: -15.093 Base-Backbone interact. energy: -0.000 local terms energy: -23.350356 where: bonds (distance) C4'-P energy: -4.074 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -5.937 flat angles P-C4'-P energy: -3.511 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: 10, replica: 5 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -35.849520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.849520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.849520 (E_RNA) where: Base-Base interactions energy: -13.478 where: short stacking energy: -10.142 Base-Backbone interact. energy: -0.084 local terms energy: -22.287437 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.305 flat angles P-C4'-P energy: -4.081 tors. eta vs tors. theta energy: -1.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -52.111118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.111118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.111118 (E_RNA) where: Base-Base interactions energy: -24.161 where: short stacking energy: -24.161 Base-Backbone interact. energy: -0.000 local terms energy: -27.950417 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.920 flat angles P-C4'-P energy: -4.624 tors. eta vs tors. theta energy: -5.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -49.156830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.156830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.156830 (E_RNA) where: Base-Base interactions energy: -22.813 where: short stacking energy: -22.813 Base-Backbone interact. energy: -0.000 local terms energy: -26.343945 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -6.152 flat angles P-C4'-P energy: -3.926 tors. eta vs tors. theta energy: -4.535 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: 3, replica: 10 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -45.472197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.472197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.472197 (E_RNA) where: Base-Base interactions energy: -26.915 where: short stacking energy: -13.783 Base-Backbone interact. energy: -0.000 local terms energy: -18.556695 where: bonds (distance) C4'-P energy: -3.059 bonds (distance) P-C4' energy: -5.684 flat angles C4'-P-C4' energy: -4.944 flat angles P-C4'-P energy: -2.379 tors. eta vs tors. theta energy: -2.491 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: 8 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -42.934475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.934475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.934475 (E_RNA) where: Base-Base interactions energy: -22.302 where: short stacking energy: -16.857 Base-Backbone interact. energy: -0.064 local terms energy: -20.568416 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -3.923 flat angles C4'-P-C4' energy: -4.093 flat angles P-C4'-P energy: -3.947 tors. eta vs tors. theta energy: -2.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -51.592372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.592372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.592372 (E_RNA) where: Base-Base interactions energy: -23.416 where: short stacking energy: -23.416 Base-Backbone interact. energy: -0.000 local terms energy: -28.176445 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.877 flat angles P-C4'-P energy: -3.220 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: 6, replica: 6 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -48.859222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.859222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.859222 (E_RNA) where: Base-Base interactions energy: -22.103 where: short stacking energy: -22.103 Base-Backbone interact. energy: -0.000 local terms energy: -26.756336 where: bonds (distance) C4'-P energy: -4.515 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -5.385 flat angles P-C4'-P energy: -4.203 tors. eta vs tors. theta energy: -6.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -39.618030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.618030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.618030 (E_RNA) where: Base-Base interactions energy: -22.460 where: short stacking energy: -13.683 Base-Backbone interact. energy: -0.066 local terms energy: -17.092562 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -1.976 flat angles C4'-P-C4' energy: -6.186 flat angles P-C4'-P energy: -3.271 tors. eta vs tors. theta energy: -0.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -44.650841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.650841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.650841 (E_RNA) where: Base-Base interactions energy: -17.453 where: short stacking energy: -17.453 Base-Backbone interact. energy: -0.000 local terms energy: -27.198121 where: bonds (distance) C4'-P energy: -4.516 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.317 flat angles P-C4'-P energy: -4.519 tors. eta vs tors. theta energy: -5.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -36.659643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.659643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.659643 (E_RNA) where: Base-Base interactions energy: -16.202 where: short stacking energy: -16.202 Base-Backbone interact. energy: -0.002 local terms energy: -20.455398 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -4.500 flat angles C4'-P-C4' energy: -3.311 flat angles P-C4'-P energy: -5.295 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: 10, replica: 3 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -35.039005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.039005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.039005 (E_RNA) where: Base-Base interactions energy: -13.297 where: short stacking energy: -13.297 Base-Backbone interact. energy: -0.000 local terms energy: -21.741776 where: bonds (distance) C4'-P energy: -2.475 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -5.787 flat angles P-C4'-P energy: -2.469 tors. eta vs tors. theta energy: -4.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -50.557374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.557374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.557374 (E_RNA) where: Base-Base interactions energy: -24.056 where: short stacking energy: -24.056 Base-Backbone interact. energy: -0.000 local terms energy: -26.501198 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -4.180 flat angles C4'-P-C4' energy: -5.837 flat angles P-C4'-P energy: -4.425 tors. eta vs tors. theta energy: -5.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -50.872333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.872333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.872333 (E_RNA) where: Base-Base interactions energy: -26.393 where: short stacking energy: -19.131 Base-Backbone interact. energy: -0.000 local terms energy: -24.478890 where: bonds (distance) C4'-P energy: -5.163 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -4.720 flat angles P-C4'-P energy: -3.921 tors. eta vs tors. theta energy: -5.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -46.124433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.124433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.124433 (E_RNA) where: Base-Base interactions energy: -21.358 where: short stacking energy: -21.358 Base-Backbone interact. energy: -0.015 local terms energy: -24.751294 where: bonds (distance) C4'-P energy: -4.557 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -5.700 flat angles P-C4'-P energy: -3.986 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: 4, replica: 7 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -46.585294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.585294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.585294 (E_RNA) where: Base-Base interactions energy: -23.704 where: short stacking energy: -16.806 Base-Backbone interact. energy: -0.000 local terms energy: -22.881105 where: bonds (distance) C4'-P energy: -3.949 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.497 flat angles P-C4'-P energy: -3.241 tors. eta vs tors. theta energy: -3.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -47.212214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.212214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.212214 (E_RNA) where: Base-Base interactions energy: -21.485 where: short stacking energy: -21.485 Base-Backbone interact. energy: -0.000 local terms energy: -25.727272 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -3.981 flat angles P-C4'-P energy: -3.809 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: 6, replica: 2 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -34.891712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.891712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.891712 (E_RNA) where: Base-Base interactions energy: -16.332 where: short stacking energy: -16.332 Base-Backbone interact. energy: -0.000 local terms energy: -18.559999 where: bonds (distance) C4'-P energy: -4.434 bonds (distance) P-C4' energy: -4.442 flat angles C4'-P-C4' energy: -4.956 flat angles P-C4'-P energy: -0.745 tors. eta vs tors. theta energy: -3.983 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: 6 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -47.686067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.686067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.686067 (E_RNA) where: Base-Base interactions energy: -23.394 where: short stacking energy: -23.394 Base-Backbone interact. energy: -0.000 local terms energy: -24.291597 where: bonds (distance) C4'-P energy: -3.866 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -3.576 flat angles P-C4'-P energy: -3.546 tors. eta vs tors. theta energy: -7.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -28.265862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.265862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.265862 (E_RNA) where: Base-Base interactions energy: -8.909 where: short stacking energy: -8.909 Base-Backbone interact. energy: -0.036 local terms energy: -19.320738 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -4.353 flat angles P-C4'-P energy: -3.420 tors. eta vs tors. theta energy: 0.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -31.613706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.613706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.613706 (E_RNA) where: Base-Base interactions energy: -11.066 where: short stacking energy: -4.976 Base-Backbone interact. energy: -0.000 local terms energy: -20.547271 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.281 flat angles P-C4'-P energy: -2.315 tors. eta vs tors. theta energy: -1.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -34.599082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.599082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.599082 (E_RNA) where: Base-Base interactions energy: -11.928 where: short stacking energy: -11.928 Base-Backbone interact. energy: -0.000 local terms energy: -22.670226 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -6.143 flat angles P-C4'-P energy: -2.497 tors. eta vs tors. theta energy: -2.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -48.338862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.338862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.338862 (E_RNA) where: Base-Base interactions energy: -22.535 where: short stacking energy: -18.501 Base-Backbone interact. energy: -0.000 local terms energy: -25.804106 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.910 flat angles P-C4'-P energy: -2.403 tors. eta vs tors. theta energy: -5.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -51.530472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.530472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.530472 (E_RNA) where: Base-Base interactions energy: -26.317 where: short stacking energy: -16.246 Base-Backbone interact. energy: -0.000 local terms energy: -25.213839 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.917 flat angles P-C4'-P energy: -5.506 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: 3, replica: 10 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -47.953261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.953261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.953261 (E_RNA) where: Base-Base interactions energy: -22.610 where: short stacking energy: -22.610 Base-Backbone interact. energy: -0.000 local terms energy: -25.343030 where: bonds (distance) C4'-P energy: -5.216 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.137 flat angles P-C4'-P energy: -2.752 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: 4, replica: 7 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -42.018452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.018452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.018452 (E_RNA) where: Base-Base interactions energy: -16.910 where: short stacking energy: -16.910 Base-Backbone interact. energy: -0.000 local terms energy: -25.108534 where: bonds (distance) C4'-P energy: -4.330 bonds (distance) P-C4' energy: -4.742 flat angles C4'-P-C4' energy: -5.635 flat angles P-C4'-P energy: -4.736 tors. eta vs tors. theta energy: -5.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -41.332124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.332124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.332124 (E_RNA) where: Base-Base interactions energy: -19.825 where: short stacking energy: -17.223 Base-Backbone interact. energy: -0.092 local terms energy: -21.414975 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.889 flat angles C4'-P-C4' energy: -3.171 flat angles P-C4'-P energy: -3.065 tors. eta vs tors. theta energy: -3.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -40.505865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.505865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.505865 (E_RNA) where: Base-Base interactions energy: -17.393 where: short stacking energy: -17.393 Base-Backbone interact. energy: -0.016 local terms energy: -23.096238 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -5.245 flat angles P-C4'-P energy: -2.833 tors. eta vs tors. theta energy: -2.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -35.393973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.393973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.393973 (E_RNA) where: Base-Base interactions energy: -15.443 where: short stacking energy: -5.140 Base-Backbone interact. energy: -0.095 local terms energy: -19.855893 where: bonds (distance) C4'-P energy: -4.740 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.578 flat angles P-C4'-P energy: -2.677 tors. eta vs tors. theta energy: 0.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -38.487865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.487865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.487865 (E_RNA) where: Base-Base interactions energy: -17.071 where: short stacking energy: -14.680 Base-Backbone interact. energy: -0.000 local terms energy: -21.416760 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -5.368 flat angles C4'-P-C4' energy: -5.891 flat angles P-C4'-P energy: -1.813 tors. eta vs tors. theta energy: -3.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -35.077707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.077707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.077707 (E_RNA) where: Base-Base interactions energy: -15.505 where: short stacking energy: -8.003 Base-Backbone interact. energy: 0.125 local terms energy: -19.697250 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.157 flat angles C4'-P-C4' energy: -6.436 flat angles P-C4'-P energy: -1.359 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: 5 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -34.100075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.100075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.100075 (E_RNA) where: Base-Base interactions energy: -13.518 where: short stacking energy: -13.518 Base-Backbone interact. energy: -0.034 local terms energy: -20.547962 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -4.360 flat angles C4'-P-C4' energy: -5.444 flat angles P-C4'-P energy: -2.936 tors. eta vs tors. theta energy: -2.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -49.126584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.126584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.126584 (E_RNA) where: Base-Base interactions energy: -22.960 where: short stacking energy: -22.960 Base-Backbone interact. energy: -0.000 local terms energy: -26.166094 where: bonds (distance) C4'-P energy: -5.047 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.590 flat angles P-C4'-P energy: -4.418 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: 2, replica: 10 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -49.713365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.713365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.713365 (E_RNA) where: Base-Base interactions energy: -24.504 where: short stacking energy: -24.504 Base-Backbone interact. energy: -0.000 local terms energy: -25.209226 where: bonds (distance) C4'-P energy: -2.686 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.344 flat angles P-C4'-P energy: -2.820 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: 3, replica: 1 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -46.671405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.671405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.671405 (E_RNA) where: Base-Base interactions energy: -23.743 where: short stacking energy: -23.743 Base-Backbone interact. energy: -0.000 local terms energy: -22.928084 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.816 flat angles P-C4'-P energy: -1.210 tors. eta vs tors. theta energy: -4.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -45.656364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.656364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.656364 (E_RNA) where: Base-Base interactions energy: -20.817 where: short stacking energy: -15.474 Base-Backbone interact. energy: -0.308 local terms energy: -24.531349 where: bonds (distance) C4'-P energy: -5.099 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -5.954 flat angles P-C4'-P energy: -2.896 tors. eta vs tors. theta energy: -4.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -36.087095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.087095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.087095 (E_RNA) where: Base-Base interactions energy: -12.738 where: short stacking energy: -12.738 Base-Backbone interact. energy: -0.046 local terms energy: -23.303735 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.102 flat angles P-C4'-P energy: -5.126 tors. eta vs tors. theta energy: -2.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -41.340617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.340617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.340617 (E_RNA) where: Base-Base interactions energy: -14.431 where: short stacking energy: -14.431 Base-Backbone interact. energy: -0.000 local terms energy: -26.909379 where: bonds (distance) C4'-P energy: -3.676 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.779 flat angles P-C4'-P energy: -5.375 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: 7, replica: 8 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -43.077347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.077347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.077347 (E_RNA) where: Base-Base interactions energy: -18.402 where: short stacking energy: -18.402 Base-Backbone interact. energy: -0.000 local terms energy: -24.675034 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -5.674 flat angles C4'-P-C4' energy: -5.692 flat angles P-C4'-P energy: -2.641 tors. eta vs tors. theta energy: -5.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -33.599135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.599135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.599135 (E_RNA) where: Base-Base interactions energy: -21.916 where: short stacking energy: -9.330 Base-Backbone interact. energy: -0.005 local terms energy: -11.678229 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -4.910 flat angles C4'-P-C4' energy: -2.347 flat angles P-C4'-P energy: -0.577 tors. eta vs tors. theta energy: 1.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -36.194507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.194507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.194507 (E_RNA) where: Base-Base interactions energy: -15.501 where: short stacking energy: -13.773 Base-Backbone interact. energy: -0.001 local terms energy: -20.692581 where: bonds (distance) C4'-P energy: -6.147 bonds (distance) P-C4' energy: -3.966 flat angles C4'-P-C4' energy: -4.469 flat angles P-C4'-P energy: -0.979 tors. eta vs tors. theta energy: -5.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -36.074230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.074230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.074230 (E_RNA) where: Base-Base interactions energy: -12.255 where: short stacking energy: -12.255 Base-Backbone interact. energy: -0.092 local terms energy: -23.727361 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -4.704 flat angles P-C4'-P energy: -3.944 tors. eta vs tors. theta energy: -3.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -46.770002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.770002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.770002 (E_RNA) where: Base-Base interactions energy: -23.042 where: short stacking energy: -22.800 Base-Backbone interact. energy: -0.000 local terms energy: -23.727536 where: bonds (distance) C4'-P energy: -3.751 bonds (distance) P-C4' energy: -2.867 flat angles C4'-P-C4' energy: -6.134 flat angles P-C4'-P energy: -4.642 tors. eta vs tors. theta energy: -6.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -42.464454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.464454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.464454 (E_RNA) where: Base-Base interactions energy: -19.605 where: short stacking energy: -19.605 Base-Backbone interact. energy: -0.000 local terms energy: -22.859376 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -4.787 flat angles P-C4'-P energy: -3.272 tors. eta vs tors. theta energy: -3.018 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: 164 Temperature: 1.000000 Total energy: -44.732931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.732931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.732931 (E_RNA) where: Base-Base interactions energy: -21.580 where: short stacking energy: -21.580 Base-Backbone interact. energy: -0.000 local terms energy: -23.152508 where: bonds (distance) C4'-P energy: -4.380 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -5.634 flat angles P-C4'-P energy: -3.622 tors. eta vs tors. theta energy: -3.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -38.410015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.410015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.410015 (E_RNA) where: Base-Base interactions energy: -15.043 where: short stacking energy: -15.043 Base-Backbone interact. energy: -0.001 local terms energy: -23.366100 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -6.420 flat angles P-C4'-P energy: -2.410 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: 5, replica: 7 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -45.785667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.785667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.785667 (E_RNA) where: Base-Base interactions energy: -20.682 where: short stacking energy: -15.479 Base-Backbone interact. energy: -0.004 local terms energy: -25.099475 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -5.606 flat angles C4'-P-C4' energy: -5.548 flat angles P-C4'-P energy: -4.695 tors. eta vs tors. theta energy: -3.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -48.655365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.655365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.655365 (E_RNA) where: Base-Base interactions energy: -20.765 where: short stacking energy: -20.765 Base-Backbone interact. energy: -0.000 local terms energy: -27.890253 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.198 flat angles P-C4'-P energy: -4.380 tors. eta vs tors. theta energy: -5.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -36.318324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.318324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.318324 (E_RNA) where: Base-Base interactions energy: -12.620 where: short stacking energy: -12.620 Base-Backbone interact. energy: -0.004 local terms energy: -23.694567 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.274 flat angles P-C4'-P energy: -3.932 tors. eta vs tors. theta energy: -2.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -34.770371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.770371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.770371 (E_RNA) where: Base-Base interactions energy: -12.513 where: short stacking energy: -12.513 Base-Backbone interact. energy: 0.690 local terms energy: -22.947336 where: bonds (distance) C4'-P energy: -4.744 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.106 flat angles P-C4'-P energy: -3.960 tors. eta vs tors. theta energy: -3.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -41.663559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.663559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.663559 (E_RNA) where: Base-Base interactions energy: -19.470 where: short stacking energy: -19.470 Base-Backbone interact. energy: -0.020 local terms energy: -22.172909 where: bonds (distance) C4'-P energy: -4.275 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -3.991 flat angles P-C4'-P energy: -4.739 tors. eta vs tors. theta energy: -2.288 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: 10, replica: 6 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -34.310294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.310294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.310294 (E_RNA) where: Base-Base interactions energy: -16.579 where: short stacking energy: -16.579 Base-Backbone interact. energy: -0.000 local terms energy: -17.730765 where: bonds (distance) C4'-P energy: -4.259 bonds (distance) P-C4' energy: -4.557 flat angles C4'-P-C4' energy: -5.570 flat angles P-C4'-P energy: -0.184 tors. eta vs tors. theta energy: -3.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -46.872990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.872990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.872990 (E_RNA) where: Base-Base interactions energy: -20.778 where: short stacking energy: -20.778 Base-Backbone interact. energy: -0.000 local terms energy: -26.094755 where: bonds (distance) C4'-P energy: -4.434 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -5.857 flat angles P-C4'-P energy: -5.281 tors. eta vs tors. theta energy: -4.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -46.788964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.788964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.788964 (E_RNA) where: Base-Base interactions energy: -21.667 where: short stacking energy: -21.667 Base-Backbone interact. energy: -0.000 local terms energy: -25.121080 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -5.273 flat angles C4'-P-C4' energy: -4.520 flat angles P-C4'-P energy: -4.119 tors. eta vs tors. theta energy: -5.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -47.642448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.642448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.642448 (E_RNA) where: Base-Base interactions energy: -22.335 where: short stacking energy: -22.335 Base-Backbone interact. energy: -0.000 local terms energy: -25.307871 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -4.917 flat angles C4'-P-C4' energy: -6.227 flat angles P-C4'-P energy: -4.093 tors. eta vs tors. theta energy: -4.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -40.115713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.115713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.115713 (E_RNA) where: Base-Base interactions energy: -16.844 where: short stacking energy: -13.587 Base-Backbone interact. energy: -0.096 local terms energy: -23.175903 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.086 flat angles P-C4'-P energy: -3.851 tors. eta vs tors. theta energy: -0.875 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: 1 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -41.096439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.096439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.096439 (E_RNA) where: Base-Base interactions energy: -18.698 where: short stacking energy: -18.698 Base-Backbone interact. energy: -0.001 local terms energy: -22.397453 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -4.719 flat angles P-C4'-P energy: -4.277 tors. eta vs tors. theta energy: -2.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -38.282204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.282204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.282204 (E_RNA) where: Base-Base interactions energy: -16.020 where: short stacking energy: -16.020 Base-Backbone interact. energy: -0.000 local terms energy: -22.261896 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -5.607 flat angles C4'-P-C4' energy: -5.223 flat angles P-C4'-P energy: -1.498 tors. eta vs tors. theta energy: -4.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -36.583261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.583261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.583261 (E_RNA) where: Base-Base interactions energy: -14.038 where: short stacking energy: -14.038 Base-Backbone interact. energy: -0.021 local terms energy: -22.524116 where: bonds (distance) C4'-P energy: -5.724 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -3.606 flat angles P-C4'-P energy: -4.240 tors. eta vs tors. theta energy: -2.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -33.777467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.777467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.777467 (E_RNA) where: Base-Base interactions energy: -14.353 where: short stacking energy: -12.179 Base-Backbone interact. energy: -0.001 local terms energy: -19.423927 where: bonds (distance) C4'-P energy: -1.886 bonds (distance) P-C4' energy: -5.512 flat angles C4'-P-C4' energy: -4.527 flat angles P-C4'-P energy: -3.282 tors. eta vs tors. theta energy: -4.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -40.502696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.502696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.502696 (E_RNA) where: Base-Base interactions energy: -19.594 where: short stacking energy: -18.044 Base-Backbone interact. energy: -0.032 local terms energy: -20.876869 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.988 flat angles P-C4'-P energy: -1.584 tors. eta vs tors. theta energy: -3.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -29.578649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.578649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.578649 (E_RNA) where: Base-Base interactions energy: -11.042 where: short stacking energy: -11.042 Base-Backbone interact. energy: -0.053 local terms energy: -18.483414 where: bonds (distance) C4'-P energy: -5.306 bonds (distance) P-C4' energy: -5.604 flat angles C4'-P-C4' energy: -3.562 flat angles P-C4'-P energy: -5.432 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: 10 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -50.425481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.425481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.425481 (E_RNA) where: Base-Base interactions energy: -24.898 where: short stacking energy: -20.868 Base-Backbone interact. energy: -0.002 local terms energy: -25.525011 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.987 flat angles P-C4'-P energy: -3.440 tors. eta vs tors. theta energy: -4.425 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: 9 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -47.873149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.873149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.873149 (E_RNA) where: Base-Base interactions energy: -25.407 where: short stacking energy: -19.460 Base-Backbone interact. energy: -0.002 local terms energy: -22.463586 where: bonds (distance) C4'-P energy: -4.603 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -5.673 flat angles P-C4'-P energy: -4.481 tors. eta vs tors. theta energy: -1.300 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: 7 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -53.772536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.772536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.772536 (E_RNA) where: Base-Base interactions energy: -25.096 where: short stacking energy: -25.096 Base-Backbone interact. energy: -0.000 local terms energy: -28.676884 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -5.069 flat angles C4'-P-C4' energy: -6.696 flat angles P-C4'-P energy: -2.857 tors. eta vs tors. theta energy: -8.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -44.502744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.502744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.502744 (E_RNA) where: Base-Base interactions energy: -18.990 where: short stacking energy: -16.767 Base-Backbone interact. energy: -0.038 local terms energy: -25.474527 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.745 flat angles P-C4'-P energy: -5.107 tors. eta vs tors. theta energy: -2.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -46.152244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.152244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.152244 (E_RNA) where: Base-Base interactions energy: -19.490 where: short stacking energy: -19.490 Base-Backbone interact. energy: -0.000 local terms energy: -26.662009 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -5.945 flat angles C4'-P-C4' energy: -6.532 flat angles P-C4'-P energy: -3.731 tors. eta vs tors. theta energy: -4.928 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: 1 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -37.739804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.739804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.739804 (E_RNA) where: Base-Base interactions energy: -17.824 where: short stacking energy: -17.824 Base-Backbone interact. energy: -0.003 local terms energy: -19.912491 where: bonds (distance) C4'-P energy: -4.727 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.620 flat angles P-C4'-P energy: 0.775 tors. eta vs tors. theta energy: -3.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -40.010391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.010391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.010391 (E_RNA) where: Base-Base interactions energy: -16.242 where: short stacking energy: -16.242 Base-Backbone interact. energy: -0.000 local terms energy: -23.768563 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -4.165 flat angles C4'-P-C4' energy: -6.097 flat angles P-C4'-P energy: -4.211 tors. eta vs tors. theta energy: -4.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -32.034888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.034888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.034888 (E_RNA) where: Base-Base interactions energy: -13.654 where: short stacking energy: -8.125 Base-Backbone interact. energy: 0.299 local terms energy: -18.679628 where: bonds (distance) C4'-P energy: -5.285 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -1.751 flat angles P-C4'-P energy: -3.992 tors. eta vs tors. theta energy: -0.979 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: 6 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -36.969854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.969854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.969854 (E_RNA) where: Base-Base interactions energy: -13.287 where: short stacking energy: -13.287 Base-Backbone interact. energy: -0.093 local terms energy: -23.589459 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.883 flat angles P-C4'-P energy: -3.625 tors. eta vs tors. theta energy: -2.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -28.192266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.192266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.192266 (E_RNA) where: Base-Base interactions energy: -9.725 where: short stacking energy: -9.725 Base-Backbone interact. energy: -0.018 local terms energy: -18.449442 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -5.457 flat angles P-C4'-P energy: -3.383 tors. eta vs tors. theta energy: 1.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -50.726617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.726617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.726617 (E_RNA) where: Base-Base interactions energy: -26.010 where: short stacking energy: -26.010 Base-Backbone interact. energy: -0.000 local terms energy: -24.716734 where: bonds (distance) C4'-P energy: -4.843 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.468 flat angles P-C4'-P energy: -4.028 tors. eta vs tors. theta energy: -6.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -43.163490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.163490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.163490 (E_RNA) where: Base-Base interactions energy: -19.174 where: short stacking energy: -19.174 Base-Backbone interact. energy: -0.085 local terms energy: -23.905296 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.410 flat angles P-C4'-P energy: -2.420 tors. eta vs tors. theta energy: -3.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -42.482462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.482462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.482462 (E_RNA) where: Base-Base interactions energy: -18.922 where: short stacking energy: -18.922 Base-Backbone interact. energy: -0.000 local terms energy: -23.559963 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -3.684 flat angles C4'-P-C4' energy: -6.152 flat angles P-C4'-P energy: -4.528 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: 4, replica: 4 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -45.835334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.835334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.835334 (E_RNA) where: Base-Base interactions energy: -18.716 where: short stacking energy: -18.716 Base-Backbone interact. energy: -0.000 local terms energy: -27.119321 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -6.393 flat angles P-C4'-P energy: -4.762 tors. eta vs tors. theta energy: -4.862 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: 2 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -35.078642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.078642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.078642 (E_RNA) where: Base-Base interactions energy: -13.579 where: short stacking energy: -12.411 Base-Backbone interact. energy: -0.069 local terms energy: -21.430195 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -3.736 flat angles C4'-P-C4' energy: -4.357 flat angles P-C4'-P energy: -3.953 tors. eta vs tors. theta energy: -3.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -35.939613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.939613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.939613 (E_RNA) where: Base-Base interactions energy: -15.509 where: short stacking energy: -15.509 Base-Backbone interact. energy: -0.003 local terms energy: -20.427579 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -6.351 flat angles C4'-P-C4' energy: -3.744 flat angles P-C4'-P energy: -2.223 tors. eta vs tors. theta energy: -2.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -43.006109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.006109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.006109 (E_RNA) where: Base-Base interactions energy: -20.755 where: short stacking energy: -20.755 Base-Backbone interact. energy: -0.000 local terms energy: -22.251070 where: bonds (distance) C4'-P energy: -4.454 bonds (distance) P-C4' energy: 0.964 flat angles C4'-P-C4' energy: -6.219 flat angles P-C4'-P energy: -4.919 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: 8, replica: 6 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -31.057516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.057516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.057516 (E_RNA) where: Base-Base interactions energy: -13.686 where: short stacking energy: -13.686 Base-Backbone interact. energy: -0.070 local terms energy: -17.301810 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -3.628 flat angles C4'-P-C4' energy: -4.846 flat angles P-C4'-P energy: -2.684 tors. eta vs tors. theta energy: -0.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -34.280750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.280750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.280750 (E_RNA) where: Base-Base interactions energy: -11.739 where: short stacking energy: -10.975 Base-Backbone interact. energy: -0.381 local terms energy: -22.160895 where: bonds (distance) C4'-P energy: -4.074 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -6.083 flat angles P-C4'-P energy: -4.319 tors. eta vs tors. theta energy: -1.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -31.342226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.342226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.342226 (E_RNA) where: Base-Base interactions energy: -11.526 where: short stacking energy: -11.526 Base-Backbone interact. energy: -0.032 local terms energy: -19.784349 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -4.589 flat angles C4'-P-C4' energy: -3.771 flat angles P-C4'-P energy: -4.694 tors. eta vs tors. theta energy: -1.763 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: 1, replica: 9 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -51.021427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.021427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.021427 (E_RNA) where: Base-Base interactions energy: -23.808 where: short stacking energy: -23.808 Base-Backbone interact. energy: -0.000 local terms energy: -27.213797 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.061 flat angles P-C4'-P energy: -2.743 tors. eta vs tors. theta energy: -6.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -47.313289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.313289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.313289 (E_RNA) where: Base-Base interactions energy: -19.062 where: short stacking energy: -19.062 Base-Backbone interact. energy: -0.000 local terms energy: -28.250875 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -6.005 flat angles P-C4'-P energy: -3.672 tors. eta vs tors. theta energy: -7.866 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: 4 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -49.856063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.856063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.856063 (E_RNA) where: Base-Base interactions energy: -22.650 where: short stacking energy: -22.650 Base-Backbone interact. energy: -0.000 local terms energy: -27.206269 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -4.539 flat angles C4'-P-C4' energy: -6.200 flat angles P-C4'-P energy: -5.005 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: 4, replica: 7 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -41.311850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.311850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.311850 (E_RNA) where: Base-Base interactions energy: -18.695 where: short stacking energy: -18.695 Base-Backbone interact. energy: -0.000 local terms energy: -22.617264 where: bonds (distance) C4'-P energy: -4.747 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -3.410 flat angles P-C4'-P energy: -4.175 tors. eta vs tors. theta energy: -5.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -38.346194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.346194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.346194 (E_RNA) where: Base-Base interactions energy: -13.439 where: short stacking energy: -13.439 Base-Backbone interact. energy: 0.081 local terms energy: -24.988510 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.222 flat angles P-C4'-P energy: -3.778 tors. eta vs tors. theta energy: -3.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -44.842910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.842910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.842910 (E_RNA) where: Base-Base interactions energy: -25.458 where: short stacking energy: -14.514 Base-Backbone interact. energy: -0.098 local terms energy: -19.287428 where: bonds (distance) C4'-P energy: -3.680 bonds (distance) P-C4' energy: -4.621 flat angles C4'-P-C4' energy: -3.770 flat angles P-C4'-P energy: -4.842 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: 7, replica: 1 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -43.740337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.740337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.740337 (E_RNA) where: Base-Base interactions energy: -19.333 where: short stacking energy: -19.333 Base-Backbone interact. energy: -0.000 local terms energy: -24.407575 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -4.955 flat angles P-C4'-P energy: -1.996 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: 8, replica: 6 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -32.988143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.988143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.988143 (E_RNA) where: Base-Base interactions energy: -11.689 where: short stacking energy: -10.505 Base-Backbone interact. energy: -0.000 local terms energy: -21.299465 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -3.158 flat angles P-C4'-P energy: -4.461 tors. eta vs tors. theta energy: -2.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -30.574264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.574264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.574264 (E_RNA) where: Base-Base interactions energy: -8.173 where: short stacking energy: -8.173 Base-Backbone interact. energy: -0.000 local terms energy: -22.401569 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -4.203 flat angles P-C4'-P energy: -3.952 tors. eta vs tors. theta energy: -1.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -37.104597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.104597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.104597 (E_RNA) where: Base-Base interactions energy: -18.153 where: short stacking energy: -9.650 Base-Backbone interact. energy: -0.002 local terms energy: -18.948841 where: bonds (distance) C4'-P energy: -4.214 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -4.652 flat angles P-C4'-P energy: -2.815 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: 1, replica: 9 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -54.490212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.490212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.490212 (E_RNA) where: Base-Base interactions energy: -23.605 where: short stacking energy: -23.605 Base-Backbone interact. energy: -0.000 local terms energy: -30.885654 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -6.133 flat angles P-C4'-P energy: -5.412 tors. eta vs tors. theta energy: -8.211 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: 4 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -43.761471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.761471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.761471 (E_RNA) where: Base-Base interactions energy: -20.495 where: short stacking energy: -14.226 Base-Backbone interact. energy: -0.008 local terms energy: -23.258201 where: bonds (distance) C4'-P energy: -4.934 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.499 flat angles P-C4'-P energy: -4.826 tors. eta vs tors. theta energy: -1.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -41.725251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.725251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.725251 (E_RNA) where: Base-Base interactions energy: -20.449 where: short stacking energy: -20.449 Base-Backbone interact. energy: -0.098 local terms energy: -21.178898 where: bonds (distance) C4'-P energy: -2.856 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.043 flat angles P-C4'-P energy: -3.889 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: 4, replica: 5 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -41.231099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.231099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.231099 (E_RNA) where: Base-Base interactions energy: -19.245 where: short stacking energy: -12.118 Base-Backbone interact. energy: -0.049 local terms energy: -21.937473 where: bonds (distance) C4'-P energy: -4.160 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.421 flat angles P-C4'-P energy: -2.170 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: 5, replica: 7 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -34.109156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.109156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.109156 (E_RNA) where: Base-Base interactions energy: -13.455 where: short stacking energy: -13.455 Base-Backbone interact. energy: -0.001 local terms energy: -20.652740 where: bonds (distance) C4'-P energy: -4.639 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -4.643 flat angles P-C4'-P energy: -4.164 tors. eta vs tors. theta energy: -1.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -41.549221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.549221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.549221 (E_RNA) where: Base-Base interactions energy: -19.125 where: short stacking energy: -19.125 Base-Backbone interact. energy: -0.000 local terms energy: -22.424168 where: bonds (distance) C4'-P energy: -3.395 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.944 flat angles P-C4'-P energy: -3.375 tors. eta vs tors. theta energy: -4.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -31.558449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.558449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.558449 (E_RNA) where: Base-Base interactions energy: -9.992 where: short stacking energy: -9.992 Base-Backbone interact. energy: -0.098 local terms energy: -21.468681 where: bonds (distance) C4'-P energy: -3.991 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -4.712 flat angles P-C4'-P energy: -4.507 tors. eta vs tors. theta energy: -1.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -41.426747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.426747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.426747 (E_RNA) where: Base-Base interactions energy: -17.826 where: short stacking energy: -17.826 Base-Backbone interact. energy: -0.000 local terms energy: -23.600580 where: bonds (distance) C4'-P energy: -5.252 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.616 flat angles P-C4'-P energy: -2.277 tors. eta vs tors. theta energy: -4.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -32.037987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.037987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.037987 (E_RNA) where: Base-Base interactions energy: -11.251 where: short stacking energy: -6.321 Base-Backbone interact. energy: -0.002 local terms energy: -20.785909 where: bonds (distance) C4'-P energy: -4.471 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.554 flat angles P-C4'-P energy: -1.418 tors. eta vs tors. theta energy: -2.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -31.965161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.965161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.965161 (E_RNA) where: Base-Base interactions energy: -14.248 where: short stacking energy: -14.248 Base-Backbone interact. energy: -0.186 local terms energy: -17.531456 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -5.110 flat angles C4'-P-C4' energy: -1.106 flat angles P-C4'-P energy: -4.551 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: 4 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -53.429135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.429135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.429135 (E_RNA) where: Base-Base interactions energy: -24.792 where: short stacking energy: -24.792 Base-Backbone interact. energy: -0.000 local terms energy: -28.636820 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -4.850 flat angles C4'-P-C4' energy: -6.290 flat angles P-C4'-P energy: -4.113 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: 2, replica: 9 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -50.086640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.086640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.086640 (E_RNA) where: Base-Base interactions energy: -25.873 where: short stacking energy: -25.873 Base-Backbone interact. energy: -0.000 local terms energy: -24.213833 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -4.420 flat angles C4'-P-C4' energy: -4.787 flat angles P-C4'-P energy: -3.748 tors. eta vs tors. theta energy: -5.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -38.374918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.374918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.374918 (E_RNA) where: Base-Base interactions energy: -18.871 where: short stacking energy: -18.871 Base-Backbone interact. energy: -0.040 local terms energy: -19.464097 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -5.107 flat angles C4'-P-C4' energy: -4.757 flat angles P-C4'-P energy: -2.140 tors. eta vs tors. theta energy: -1.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -39.425141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.425141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.425141 (E_RNA) where: Base-Base interactions energy: -14.924 where: short stacking energy: -14.924 Base-Backbone interact. energy: -0.007 local terms energy: -24.494793 where: bonds (distance) C4'-P energy: -5.244 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -4.350 flat angles P-C4'-P energy: -5.218 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: 5, replica: 2 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -52.275803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.275803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.275803 (E_RNA) where: Base-Base interactions energy: -26.328 where: short stacking energy: -26.328 Base-Backbone interact. energy: -0.000 local terms energy: -25.947883 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -5.159 flat angles C4'-P-C4' energy: -5.092 flat angles P-C4'-P energy: -3.322 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: 6, replica: 7 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -39.655415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.655415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.655415 (E_RNA) where: Base-Base interactions energy: -16.867 where: short stacking energy: -16.867 Base-Backbone interact. energy: -0.000 local terms energy: -22.787733 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -3.648 flat angles P-C4'-P energy: -3.017 tors. eta vs tors. theta energy: -3.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -39.890466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.890466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.890466 (E_RNA) where: Base-Base interactions energy: -15.438 where: short stacking energy: -15.438 Base-Backbone interact. energy: -0.084 local terms energy: -24.368169 where: bonds (distance) C4'-P energy: -3.307 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.630 flat angles P-C4'-P energy: -3.387 tors. eta vs tors. theta energy: -6.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -33.484940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.484940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.484940 (E_RNA) where: Base-Base interactions energy: -12.937 where: short stacking energy: -11.031 Base-Backbone interact. energy: -0.062 local terms energy: -20.485407 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -2.742 flat angles P-C4'-P energy: -4.480 tors. eta vs tors. theta energy: -1.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -34.181758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.181758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.181758 (E_RNA) where: Base-Base interactions energy: -11.816 where: short stacking energy: -11.816 Base-Backbone interact. energy: -0.002 local terms energy: -22.364070 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -4.962 flat angles P-C4'-P energy: -4.391 tors. eta vs tors. theta energy: -1.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -34.200954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.200954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.200954 (E_RNA) where: Base-Base interactions energy: -15.680 where: short stacking energy: -15.680 Base-Backbone interact. energy: -0.032 local terms energy: -18.489383 where: bonds (distance) C4'-P energy: -4.876 bonds (distance) P-C4' energy: -1.724 flat angles C4'-P-C4' energy: -4.759 flat angles P-C4'-P energy: -3.326 tors. eta vs tors. theta energy: -3.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -44.752083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.752083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.752083 (E_RNA) where: Base-Base interactions energy: -19.236 where: short stacking energy: -19.236 Base-Backbone interact. energy: -0.004 local terms energy: -25.511768 where: bonds (distance) C4'-P energy: -6.569 bonds (distance) P-C4' energy: -6.202 flat angles C4'-P-C4' energy: -6.325 flat angles P-C4'-P energy: -4.431 tors. eta vs tors. theta energy: -1.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -52.111302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.111302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.111302 (E_RNA) where: Base-Base interactions energy: -24.853 where: short stacking energy: -24.853 Base-Backbone interact. energy: -0.000 local terms energy: -27.257941 where: bonds (distance) C4'-P energy: -4.135 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -5.860 flat angles P-C4'-P energy: -4.950 tors. eta vs tors. theta energy: -6.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -44.352784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.352784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.352784 (E_RNA) where: Base-Base interactions energy: -21.129 where: short stacking energy: -21.129 Base-Backbone interact. energy: -0.000 local terms energy: -23.223322 where: bonds (distance) C4'-P energy: -3.128 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.238 flat angles P-C4'-P energy: -4.507 tors. eta vs tors. theta energy: -3.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -45.963537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.963537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.963537 (E_RNA) where: Base-Base interactions energy: -22.044 where: short stacking energy: -22.044 Base-Backbone interact. energy: -0.000 local terms energy: -23.919599 where: bonds (distance) C4'-P energy: -2.603 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -5.392 flat angles P-C4'-P energy: -4.487 tors. eta vs tors. theta energy: -5.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -38.280457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.280457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.280457 (E_RNA) where: Base-Base interactions energy: -13.112 where: short stacking energy: -13.112 Base-Backbone interact. energy: -0.103 local terms energy: -25.066120 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.065 flat angles P-C4'-P energy: -4.921 tors. eta vs tors. theta energy: -3.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -40.724280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.724280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.724280 (E_RNA) where: Base-Base interactions energy: -17.927 where: short stacking energy: -17.927 Base-Backbone interact. energy: -0.001 local terms energy: -22.796133 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -5.892 flat angles C4'-P-C4' energy: -4.923 flat angles P-C4'-P energy: -2.963 tors. eta vs tors. theta energy: -3.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -35.613568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.613568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.613568 (E_RNA) where: Base-Base interactions energy: -15.150 where: short stacking energy: -15.150 Base-Backbone interact. energy: -0.001 local terms energy: -20.463139 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -2.903 flat angles P-C4'-P energy: -3.170 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: 8, replica: 8 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -41.088153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.088153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.088153 (E_RNA) where: Base-Base interactions energy: -16.493 where: short stacking energy: -16.493 Base-Backbone interact. energy: -0.089 local terms energy: -24.505501 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.090 flat angles P-C4'-P energy: -2.948 tors. eta vs tors. theta energy: -3.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -36.662118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.662118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.662118 (E_RNA) where: Base-Base interactions energy: -15.661 where: short stacking energy: -14.750 Base-Backbone interact. energy: -0.063 local terms energy: -20.938267 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.090 flat angles P-C4'-P energy: -1.866 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: 10, replica: 6 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -34.939977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.939977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.939977 (E_RNA) where: Base-Base interactions energy: -12.142 where: short stacking energy: -12.142 Base-Backbone interact. energy: -0.045 local terms energy: -22.752170 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -4.364 flat angles C4'-P-C4' energy: -6.083 flat angles P-C4'-P energy: -3.596 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: 9 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -49.367030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.367030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.367030 (E_RNA) where: Base-Base interactions energy: -21.980 where: short stacking energy: -21.980 Base-Backbone interact. energy: -0.000 local terms energy: -27.387471 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.118 flat angles C4'-P-C4' energy: -5.899 flat angles P-C4'-P energy: -3.442 tors. eta vs tors. theta energy: -5.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -46.244511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.244511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.244511 (E_RNA) where: Base-Base interactions energy: -23.359 where: short stacking energy: -23.359 Base-Backbone interact. energy: -0.041 local terms energy: -22.843957 where: bonds (distance) C4'-P energy: -4.221 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.109 flat angles P-C4'-P energy: -2.867 tors. eta vs tors. theta energy: -4.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -39.148767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.148767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.148767 (E_RNA) where: Base-Base interactions energy: -20.946 where: short stacking energy: -18.269 Base-Backbone interact. energy: -0.093 local terms energy: -18.110397 where: bonds (distance) C4'-P energy: -5.394 bonds (distance) P-C4' energy: -0.769 flat angles C4'-P-C4' energy: -5.838 flat angles P-C4'-P energy: -4.516 tors. eta vs tors. theta energy: -1.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -45.821528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.821528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.821528 (E_RNA) where: Base-Base interactions energy: -18.061 where: short stacking energy: -18.061 Base-Backbone interact. energy: -0.015 local terms energy: -27.745294 where: bonds (distance) C4'-P energy: -4.872 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -6.091 flat angles P-C4'-P energy: -5.350 tors. eta vs tors. theta energy: -4.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -46.021124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.021124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.021124 (E_RNA) where: Base-Base interactions energy: -22.561 where: short stacking energy: -22.561 Base-Backbone interact. energy: -0.000 local terms energy: -23.460129 where: bonds (distance) C4'-P energy: -4.451 bonds (distance) P-C4' energy: -5.837 flat angles C4'-P-C4' energy: -4.700 flat angles P-C4'-P energy: -2.929 tors. eta vs tors. theta energy: -5.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -44.008596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.008596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.008596 (E_RNA) where: Base-Base interactions energy: -17.717 where: short stacking energy: -17.717 Base-Backbone interact. energy: -0.000 local terms energy: -26.291237 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -5.173 flat angles P-C4'-P energy: -5.076 tors. eta vs tors. theta energy: -2.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -36.562403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.562403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.562403 (E_RNA) where: Base-Base interactions energy: -17.136 where: short stacking energy: -13.681 Base-Backbone interact. energy: -0.034 local terms energy: -19.392180 where: bonds (distance) C4'-P energy: -3.555 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.277 flat angles P-C4'-P energy: -3.048 tors. eta vs tors. theta energy: 0.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -32.423520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.423520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.423520 (E_RNA) where: Base-Base interactions energy: -14.187 where: short stacking energy: -14.187 Base-Backbone interact. energy: -0.056 local terms energy: -18.180959 where: bonds (distance) C4'-P energy: -3.894 bonds (distance) P-C4' energy: -3.619 flat angles C4'-P-C4' energy: -6.162 flat angles P-C4'-P energy: -2.688 tors. eta vs tors. theta energy: -1.818 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: 9, replica: 6 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -38.671059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.671059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.671059 (E_RNA) where: Base-Base interactions energy: -15.917 where: short stacking energy: -15.917 Base-Backbone interact. energy: -0.002 local terms energy: -22.752429 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -5.318 flat angles C4'-P-C4' energy: -4.773 flat angles P-C4'-P energy: -3.966 tors. eta vs tors. theta energy: -3.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -31.721402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.721402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.721402 (E_RNA) where: Base-Base interactions energy: -11.832 where: short stacking energy: -11.832 Base-Backbone interact. energy: -0.141 local terms energy: -19.748597 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -4.526 flat angles C4'-P-C4' energy: -5.377 flat angles P-C4'-P energy: -3.025 tors. eta vs tors. theta energy: -2.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -47.525612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.525612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.525612 (E_RNA) where: Base-Base interactions energy: -22.125 where: short stacking energy: -22.125 Base-Backbone interact. energy: -0.000 local terms energy: -25.400677 where: bonds (distance) C4'-P energy: -3.895 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.300 flat angles P-C4'-P energy: -4.105 tors. eta vs tors. theta energy: -6.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -48.998493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.998493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.998493 (E_RNA) where: Base-Base interactions energy: -22.232 where: short stacking energy: -22.232 Base-Backbone interact. energy: -0.001 local terms energy: -26.765672 where: bonds (distance) C4'-P energy: -3.778 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -5.865 flat angles P-C4'-P energy: -5.448 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: 3, replica: 2 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -43.995458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.995458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.995458 (E_RNA) where: Base-Base interactions energy: -25.233 where: short stacking energy: -10.767 Base-Backbone interact. energy: -0.001 local terms energy: -18.761892 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -5.181 flat angles C4'-P-C4' energy: -4.883 flat angles P-C4'-P energy: -1.958 tors. eta vs tors. theta energy: -1.549 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: 3 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -44.577090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.577090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.577090 (E_RNA) where: Base-Base interactions energy: -24.828 where: short stacking energy: -9.944 Base-Backbone interact. energy: -0.128 local terms energy: -19.621180 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -4.067 flat angles P-C4'-P energy: -4.431 tors. eta vs tors. theta energy: 0.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -38.927111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.927111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.927111 (E_RNA) where: Base-Base interactions energy: -11.932 where: short stacking energy: -11.932 Base-Backbone interact. energy: -0.016 local terms energy: -26.979525 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -3.527 flat angles P-C4'-P energy: -4.767 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: 6, replica: 8 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -37.380940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.380940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.380940 (E_RNA) where: Base-Base interactions energy: -16.304 where: short stacking energy: -16.304 Base-Backbone interact. energy: -0.003 local terms energy: -21.073887 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -5.107 flat angles C4'-P-C4' energy: -3.566 flat angles P-C4'-P energy: -4.178 tors. eta vs tors. theta energy: -2.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -40.297653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.297653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.297653 (E_RNA) where: Base-Base interactions energy: -17.696 where: short stacking energy: -17.696 Base-Backbone interact. energy: -0.000 local terms energy: -22.601197 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -5.368 flat angles C4'-P-C4' energy: -4.589 flat angles P-C4'-P energy: -2.950 tors. eta vs tors. theta energy: -4.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -42.699995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.699995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.699995 (E_RNA) where: Base-Base interactions energy: -19.426 where: short stacking energy: -19.426 Base-Backbone interact. energy: -0.000 local terms energy: -23.273919 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -3.524 flat angles P-C4'-P energy: -2.552 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: 9, replica: 7 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -30.113750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.113750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.113750 (E_RNA) where: Base-Base interactions energy: -9.025 where: short stacking energy: -9.025 Base-Backbone interact. energy: -0.197 local terms energy: -20.891535 where: bonds (distance) C4'-P energy: -3.912 bonds (distance) P-C4' energy: -5.758 flat angles C4'-P-C4' energy: -4.038 flat angles P-C4'-P energy: -4.649 tors. eta vs tors. theta energy: -2.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -29.519774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.519774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.519774 (E_RNA) where: Base-Base interactions energy: -12.010 where: short stacking energy: -12.010 Base-Backbone interact. energy: -0.030 local terms energy: -17.479731 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -3.303 flat angles P-C4'-P energy: -3.456 tors. eta vs tors. theta energy: 1.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -60.236189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.236189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.236189 (E_RNA) where: Base-Base interactions energy: -36.946 where: short stacking energy: -19.205 Base-Backbone interact. energy: -0.016 local terms energy: -23.273658 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.211 flat angles P-C4'-P energy: -3.389 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: 2, replica: 9 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -46.008184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.008184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.008184 (E_RNA) where: Base-Base interactions energy: -21.073 where: short stacking energy: -21.073 Base-Backbone interact. energy: -0.000 local terms energy: -24.935244 where: bonds (distance) C4'-P energy: -4.152 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -3.543 flat angles P-C4'-P energy: -4.602 tors. eta vs tors. theta energy: -6.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -48.622662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.622662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.622662 (E_RNA) where: Base-Base interactions energy: -20.227 where: short stacking energy: -20.227 Base-Backbone interact. energy: -0.000 local terms energy: -28.395599 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.730 flat angles P-C4'-P energy: -5.157 tors. eta vs tors. theta energy: -4.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -43.096006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.096006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.096006 (E_RNA) where: Base-Base interactions energy: -18.487 where: short stacking energy: -14.850 Base-Backbone interact. energy: -0.002 local terms energy: -24.607104 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.637 flat angles P-C4'-P energy: -5.174 tors. eta vs tors. theta energy: -2.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -41.716696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.716696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.716696 (E_RNA) where: Base-Base interactions energy: -16.505 where: short stacking energy: -16.505 Base-Backbone interact. energy: -0.000 local terms energy: -25.211611 where: bonds (distance) C4'-P energy: -5.509 bonds (distance) P-C4' energy: -4.339 flat angles C4'-P-C4' energy: -5.397 flat angles P-C4'-P energy: -4.557 tors. eta vs tors. theta energy: -5.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -37.077856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.077856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.077856 (E_RNA) where: Base-Base interactions energy: -16.465 where: short stacking energy: -10.758 Base-Backbone interact. energy: 0.371 local terms energy: -20.984028 where: bonds (distance) C4'-P energy: -4.698 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -4.220 flat angles P-C4'-P energy: -4.123 tors. eta vs tors. theta energy: -2.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -42.442418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.442418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.442418 (E_RNA) where: Base-Base interactions energy: -16.952 where: short stacking energy: -15.744 Base-Backbone interact. energy: -0.413 local terms energy: -25.077639 where: bonds (distance) C4'-P energy: -3.340 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.573 flat angles P-C4'-P energy: -4.436 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: 6 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -29.188181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.188181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.188181 (E_RNA) where: Base-Base interactions energy: -11.625 where: short stacking energy: -11.625 Base-Backbone interact. energy: -0.000 local terms energy: -17.562899 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -1.616 flat angles P-C4'-P energy: -0.733 tors. eta vs tors. theta energy: -2.695 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: 9, replica: 1 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -31.520475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.520475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.520475 (E_RNA) where: Base-Base interactions energy: -12.765 where: short stacking energy: -12.765 Base-Backbone interact. energy: -0.000 local terms energy: -18.755726 where: bonds (distance) C4'-P energy: -4.284 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -3.734 flat angles P-C4'-P energy: -2.322 tors. eta vs tors. theta energy: -1.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -32.719881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.719881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.719881 (E_RNA) where: Base-Base interactions energy: -14.693 where: short stacking energy: -11.664 Base-Backbone interact. energy: -0.010 local terms energy: -18.017502 where: bonds (distance) C4'-P energy: -3.671 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.151 flat angles P-C4'-P energy: -4.267 tors. eta vs tors. theta energy: 0.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -51.102377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.102377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.102377 (E_RNA) where: Base-Base interactions energy: -28.197 where: short stacking energy: -12.615 Base-Backbone interact. energy: -0.002 local terms energy: -22.904083 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -4.466 flat angles C4'-P-C4' energy: -5.553 flat angles P-C4'-P energy: -3.442 tors. eta vs tors. theta energy: -3.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -51.268373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.268373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.268373 (E_RNA) where: Base-Base interactions energy: -21.873 where: short stacking energy: -21.873 Base-Backbone interact. energy: -0.000 local terms energy: -29.395516 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -6.288 flat angles P-C4'-P energy: -4.261 tors. eta vs tors. theta energy: -6.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -40.387635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.387635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.387635 (E_RNA) where: Base-Base interactions energy: -18.480 where: short stacking energy: -18.480 Base-Backbone interact. energy: -0.001 local terms energy: -21.907223 where: bonds (distance) C4'-P energy: -4.346 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.273 flat angles P-C4'-P energy: -3.082 tors. eta vs tors. theta energy: -2.757 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: 5 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -41.682175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.682175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.682175 (E_RNA) where: Base-Base interactions energy: -17.066 where: short stacking energy: -17.066 Base-Backbone interact. energy: -0.082 local terms energy: -24.533943 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.062 flat angles P-C4'-P energy: -4.350 tors. eta vs tors. theta energy: -3.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -43.289016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.289016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.289016 (E_RNA) where: Base-Base interactions energy: -19.981 where: short stacking energy: -19.981 Base-Backbone interact. energy: -0.001 local terms energy: -23.307174 where: bonds (distance) C4'-P energy: -1.026 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.925 flat angles P-C4'-P energy: -4.750 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: 6, replica: 10 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -35.961709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.961709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.961709 (E_RNA) where: Base-Base interactions energy: -12.933 where: short stacking energy: -6.269 Base-Backbone interact. energy: -0.001 local terms energy: -23.027471 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.381 flat angles P-C4'-P energy: -3.889 tors. eta vs tors. theta energy: -0.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -42.024262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.024262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.024262 (E_RNA) where: Base-Base interactions energy: -17.135 where: short stacking energy: -17.135 Base-Backbone interact. energy: -0.006 local terms energy: -24.882557 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -5.371 flat angles C4'-P-C4' energy: -6.395 flat angles P-C4'-P energy: -4.104 tors. eta vs tors. theta energy: -2.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -37.642801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.642801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.642801 (E_RNA) where: Base-Base interactions energy: -17.021 where: short stacking energy: -17.021 Base-Backbone interact. energy: -0.000 local terms energy: -20.621812 where: bonds (distance) C4'-P energy: -3.982 bonds (distance) P-C4' energy: -5.705 flat angles C4'-P-C4' energy: -4.042 flat angles P-C4'-P energy: -3.433 tors. eta vs tors. theta energy: -3.460 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: 6 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -34.864049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.864049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.864049 (E_RNA) where: Base-Base interactions energy: -13.039 where: short stacking energy: -13.039 Base-Backbone interact. energy: -0.085 local terms energy: -21.740424 where: bonds (distance) C4'-P energy: -3.733 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.260 flat angles P-C4'-P energy: -4.317 tors. eta vs tors. theta energy: -1.296 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: 7 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -36.659059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.659059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.659059 (E_RNA) where: Base-Base interactions energy: -22.961 where: short stacking energy: -10.993 Base-Backbone interact. energy: -0.085 local terms energy: -13.613759 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -2.538 flat angles C4'-P-C4' energy: -2.138 flat angles P-C4'-P energy: -2.629 tors. eta vs tors. theta energy: -0.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -51.536897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.536897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.536897 (E_RNA) where: Base-Base interactions energy: -23.463 where: short stacking energy: -23.463 Base-Backbone interact. energy: -0.000 local terms energy: -28.073864 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -4.533 flat angles C4'-P-C4' energy: -6.298 flat angles P-C4'-P energy: -4.141 tors. eta vs tors. theta energy: -6.873 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: 176 Temperature: 0.950000 Total energy: -46.025362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.025362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.025362 (E_RNA) where: Base-Base interactions energy: -24.625 where: short stacking energy: -24.625 Base-Backbone interact. energy: -0.000 local terms energy: -21.399981 where: bonds (distance) C4'-P energy: -3.850 bonds (distance) P-C4' energy: -5.435 flat angles C4'-P-C4' energy: -5.869 flat angles P-C4'-P energy: -0.839 tors. eta vs tors. theta energy: -5.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -48.973864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.973864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.973864 (E_RNA) where: Base-Base interactions energy: -21.523 where: short stacking energy: -21.523 Base-Backbone interact. energy: -0.000 local terms energy: -27.451007 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -5.458 flat angles P-C4'-P energy: -5.423 tors. eta vs tors. theta energy: -5.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -41.965457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.965457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.965457 (E_RNA) where: Base-Base interactions energy: -17.405 where: short stacking energy: -17.405 Base-Backbone interact. energy: -0.000 local terms energy: -24.560763 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -5.942 flat angles C4'-P-C4' energy: -5.941 flat angles P-C4'-P energy: -3.859 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: 5, replica: 10 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -41.755507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.755507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.755507 (E_RNA) where: Base-Base interactions energy: -17.658 where: short stacking energy: -13.444 Base-Backbone interact. energy: -0.095 local terms energy: -24.002332 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -5.419 flat angles P-C4'-P energy: -2.687 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: 6, replica: 3 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -36.708147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.708147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.708147 (E_RNA) where: Base-Base interactions energy: -16.600 where: short stacking energy: -16.600 Base-Backbone interact. energy: -0.016 local terms energy: -20.091902 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -5.113 flat angles C4'-P-C4' energy: -5.695 flat angles P-C4'-P energy: -1.731 tors. eta vs tors. theta energy: -1.625 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: 1 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -37.734382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.734382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.734382 (E_RNA) where: Base-Base interactions energy: -14.477 where: short stacking energy: -14.477 Base-Backbone interact. energy: -0.005 local terms energy: -23.252885 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.265 flat angles P-C4'-P energy: -5.073 tors. eta vs tors. theta energy: -0.460 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: 8, replica: 8 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -33.340718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.340718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.340718 (E_RNA) where: Base-Base interactions energy: -9.193 where: short stacking energy: -9.193 Base-Backbone interact. energy: -0.000 local terms energy: -24.147556 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -5.868 flat angles C4'-P-C4' energy: -5.926 flat angles P-C4'-P energy: -4.905 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: 9, replica: 7 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -31.091500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.091500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.091500 (E_RNA) where: Base-Base interactions energy: -9.582 where: short stacking energy: -9.582 Base-Backbone interact. energy: -0.000 local terms energy: -21.509987 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -4.827 flat angles P-C4'-P energy: -1.306 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: 10, replica: 6 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -29.928646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.928646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.928646 (E_RNA) where: Base-Base interactions energy: -11.458 where: short stacking energy: -6.764 Base-Backbone interact. energy: -0.133 local terms energy: -18.337562 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -4.395 flat angles C4'-P-C4' energy: -4.499 flat angles P-C4'-P energy: -2.297 tors. eta vs tors. theta energy: -1.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -52.238125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.238125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.238125 (E_RNA) where: Base-Base interactions energy: -23.939 where: short stacking energy: -23.939 Base-Backbone interact. energy: -0.000 local terms energy: -28.299010 where: bonds (distance) C4'-P energy: -4.639 bonds (distance) P-C4' energy: -5.699 flat angles C4'-P-C4' energy: -6.716 flat angles P-C4'-P energy: -3.568 tors. eta vs tors. theta energy: -7.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -49.344518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.344518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.344518 (E_RNA) where: Base-Base interactions energy: -23.615 where: short stacking energy: -23.615 Base-Backbone interact. energy: -0.000 local terms energy: -25.729104 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -5.135 flat angles C4'-P-C4' energy: -4.546 flat angles P-C4'-P energy: -5.044 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: 3, replica: 2 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -42.408129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.408129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.408129 (E_RNA) where: Base-Base interactions energy: -20.162 where: short stacking energy: -17.454 Base-Backbone interact. energy: 0.842 local terms energy: -23.088568 where: bonds (distance) C4'-P energy: -5.047 bonds (distance) P-C4' energy: -6.128 flat angles C4'-P-C4' energy: -5.346 flat angles P-C4'-P energy: -5.382 tors. eta vs tors. theta energy: -1.186 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: 10 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -40.230486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.230486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.230486 (E_RNA) where: Base-Base interactions energy: -16.767 where: short stacking energy: -12.802 Base-Backbone interact. energy: -0.145 local terms energy: -23.318263 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -6.578 flat angles P-C4'-P energy: -3.185 tors. eta vs tors. theta energy: -1.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -41.801895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.801895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.801895 (E_RNA) where: Base-Base interactions energy: -17.802 where: short stacking energy: -12.941 Base-Backbone interact. energy: -0.015 local terms energy: -23.984409 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.971 flat angles P-C4'-P energy: -2.875 tors. eta vs tors. theta energy: -2.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -36.818516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.818516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.818516 (E_RNA) where: Base-Base interactions energy: -16.921 where: short stacking energy: -16.921 Base-Backbone interact. energy: -0.047 local terms energy: -19.850473 where: bonds (distance) C4'-P energy: -3.536 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -4.524 flat angles P-C4'-P energy: -0.930 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: 7, replica: 3 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -30.144248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.144248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.144248 (E_RNA) where: Base-Base interactions energy: -15.056 where: short stacking energy: -15.056 Base-Backbone interact. energy: -0.001 local terms energy: -15.087285 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -3.318 flat angles C4'-P-C4' energy: -4.132 flat angles P-C4'-P energy: 0.500 tors. eta vs tors. theta energy: -3.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -37.849839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.849839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.849839 (E_RNA) where: Base-Base interactions energy: -21.233 where: short stacking energy: -7.038 Base-Backbone interact. energy: 0.203 local terms energy: -16.819933 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -4.593 flat angles P-C4'-P energy: -1.645 tors. eta vs tors. theta energy: -0.193 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: 9, replica: 8 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -35.278908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.278908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.278908 (E_RNA) where: Base-Base interactions energy: -14.007 where: short stacking energy: -14.007 Base-Backbone interact. energy: -0.000 local terms energy: -21.271988 where: bonds (distance) C4'-P energy: -4.152 bonds (distance) P-C4' energy: -4.625 flat angles C4'-P-C4' energy: -4.762 flat angles P-C4'-P energy: -5.178 tors. eta vs tors. theta energy: -2.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -30.342365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.342365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.342365 (E_RNA) where: Base-Base interactions energy: -11.126 where: short stacking energy: -10.496 Base-Backbone interact. energy: -0.041 local terms energy: -19.175103 where: bonds (distance) C4'-P energy: -5.365 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -3.219 flat angles P-C4'-P energy: -2.704 tors. eta vs tors. theta energy: -2.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -48.524783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.524783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.524783 (E_RNA) where: Base-Base interactions energy: -26.975 where: short stacking energy: -16.191 Base-Backbone interact. energy: -1.289 local terms energy: -20.260963 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -3.233 flat angles P-C4'-P energy: -2.070 tors. eta vs tors. theta energy: -3.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -43.577744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.577744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.577744 (E_RNA) where: Base-Base interactions energy: -21.453 where: short stacking energy: -21.453 Base-Backbone interact. energy: -0.034 local terms energy: -22.090865 where: bonds (distance) C4'-P energy: -3.236 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -4.431 flat angles P-C4'-P energy: -4.226 tors. eta vs tors. theta energy: -4.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -43.657936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.657936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.657936 (E_RNA) where: Base-Base interactions energy: -21.541 where: short stacking energy: -21.541 Base-Backbone interact. energy: -0.001 local terms energy: -22.115682 where: bonds (distance) C4'-P energy: -4.338 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.709 flat angles P-C4'-P energy: -3.109 tors. eta vs tors. theta energy: -3.739 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: 4, replica: 2 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -42.951740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.951740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.951740 (E_RNA) where: Base-Base interactions energy: -19.326 where: short stacking energy: -19.326 Base-Backbone interact. energy: -0.001 local terms energy: -23.625489 where: bonds (distance) C4'-P energy: -4.631 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -3.862 flat angles P-C4'-P energy: -3.187 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: 5, replica: 1 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -34.361635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.361635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.361635 (E_RNA) where: Base-Base interactions energy: -12.463 where: short stacking energy: -12.463 Base-Backbone interact. energy: -0.001 local terms energy: -21.897500 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -5.374 flat angles C4'-P-C4' energy: -4.136 flat angles P-C4'-P energy: -3.510 tors. eta vs tors. theta energy: -3.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -39.098343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.098343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.098343 (E_RNA) where: Base-Base interactions energy: -17.721 where: short stacking energy: -17.721 Base-Backbone interact. energy: -0.000 local terms energy: -21.377432 where: bonds (distance) C4'-P energy: -4.930 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -3.815 flat angles P-C4'-P energy: -2.354 tors. eta vs tors. theta energy: -3.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -31.487423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.487423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.487423 (E_RNA) where: Base-Base interactions energy: -13.196 where: short stacking energy: -13.196 Base-Backbone interact. energy: -0.036 local terms energy: -18.254779 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.837 flat angles P-C4'-P energy: 0.410 tors. eta vs tors. theta energy: -0.903 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: 178 Temperature: 1.250000 Total energy: -40.104721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.104721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.104721 (E_RNA) where: Base-Base interactions energy: -16.881 where: short stacking energy: -16.881 Base-Backbone interact. energy: -0.003 local terms energy: -23.220547 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -5.886 flat angles C4'-P-C4' energy: -6.339 flat angles P-C4'-P energy: -2.421 tors. eta vs tors. theta energy: -2.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -33.788382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.788382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.788382 (E_RNA) where: Base-Base interactions energy: -12.182 where: short stacking energy: -12.182 Base-Backbone interact. energy: -0.006 local terms energy: -21.600148 where: bonds (distance) C4'-P energy: -4.985 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.299 flat angles P-C4'-P energy: -2.996 tors. eta vs tors. theta energy: -2.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -34.933403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.933403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.933403 (E_RNA) where: Base-Base interactions energy: -13.937 where: short stacking energy: -13.937 Base-Backbone interact. energy: -0.014 local terms energy: -20.982787 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -4.402 flat angles C4'-P-C4' energy: -5.272 flat angles P-C4'-P energy: -0.878 tors. eta vs tors. theta energy: -4.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -50.480324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.480324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.480324 (E_RNA) where: Base-Base interactions energy: -25.552 where: short stacking energy: -18.698 Base-Backbone interact. energy: -0.056 local terms energy: -24.872128 where: bonds (distance) C4'-P energy: -3.778 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.860 flat angles P-C4'-P energy: -5.270 tors. eta vs tors. theta energy: -4.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -45.463965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.463965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.463965 (E_RNA) where: Base-Base interactions energy: -22.178 where: short stacking energy: -22.178 Base-Backbone interact. energy: -0.011 local terms energy: -23.275086 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -4.910 flat angles C4'-P-C4' energy: -5.887 flat angles P-C4'-P energy: -3.364 tors. eta vs tors. theta energy: -4.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -48.535389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.535389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.535389 (E_RNA) where: Base-Base interactions energy: -22.755 where: short stacking energy: -22.755 Base-Backbone interact. energy: -0.000 local terms energy: -25.780751 where: bonds (distance) C4'-P energy: -3.991 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.059 flat angles P-C4'-P energy: -4.207 tors. eta vs tors. theta energy: -5.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -43.750065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.750065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.750065 (E_RNA) where: Base-Base interactions energy: -20.812 where: short stacking energy: -20.812 Base-Backbone interact. energy: -0.000 local terms energy: -22.937717 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -4.560 flat angles C4'-P-C4' energy: -4.408 flat angles P-C4'-P energy: -4.928 tors. eta vs tors. theta energy: -4.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -44.561124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.561124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.561124 (E_RNA) where: Base-Base interactions energy: -20.870 where: short stacking energy: -20.870 Base-Backbone interact. energy: -0.004 local terms energy: -23.688022 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -5.353 flat angles P-C4'-P energy: -2.274 tors. eta vs tors. theta energy: -5.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -41.590155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.590155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.590155 (E_RNA) where: Base-Base interactions energy: -14.663 where: short stacking energy: -14.663 Base-Backbone interact. energy: -0.001 local terms energy: -26.926644 where: bonds (distance) C4'-P energy: -5.241 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.517 flat angles P-C4'-P energy: -5.440 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: 7, replica: 9 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -34.897065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.897065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.897065 (E_RNA) where: Base-Base interactions energy: -13.423 where: short stacking energy: -13.423 Base-Backbone interact. energy: -0.099 local terms energy: -21.374859 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -5.420 flat angles C4'-P-C4' energy: -5.866 flat angles P-C4'-P energy: -3.585 tors. eta vs tors. theta energy: -1.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -31.239024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.239024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.239024 (E_RNA) where: Base-Base interactions energy: -18.091 where: short stacking energy: -9.297 Base-Backbone interact. energy: -0.078 local terms energy: -13.070478 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -1.712 flat angles P-C4'-P energy: -0.507 tors. eta vs tors. theta energy: -0.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -35.755644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.755644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.755644 (E_RNA) where: Base-Base interactions energy: -14.596 where: short stacking energy: -10.084 Base-Backbone interact. energy: -0.001 local terms energy: -21.158635 where: bonds (distance) C4'-P energy: -2.893 bonds (distance) P-C4' energy: -6.128 flat angles C4'-P-C4' energy: -5.186 flat angles P-C4'-P energy: -4.746 tors. eta vs tors. theta energy: -2.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -32.862259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.862259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.862259 (E_RNA) where: Base-Base interactions energy: -7.733 where: short stacking energy: -5.842 Base-Backbone interact. energy: -0.006 local terms energy: -25.122776 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.371 flat angles C4'-P-C4' energy: -6.378 flat angles P-C4'-P energy: -5.118 tors. eta vs tors. theta energy: -2.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -51.752536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.752536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.752536 (E_RNA) where: Base-Base interactions energy: -22.680 where: short stacking energy: -22.680 Base-Backbone interact. energy: -0.019 local terms energy: -29.053737 where: bonds (distance) C4'-P energy: -4.835 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.205 flat angles P-C4'-P energy: -5.076 tors. eta vs tors. theta energy: -6.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -45.870883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.870883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.870883 (E_RNA) where: Base-Base interactions energy: -19.982 where: short stacking energy: -19.982 Base-Backbone interact. energy: -0.000 local terms energy: -25.888895 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.179 flat angles P-C4'-P energy: -4.292 tors. eta vs tors. theta energy: -3.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -41.102174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.102174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.102174 (E_RNA) where: Base-Base interactions energy: -19.727 where: short stacking energy: -19.727 Base-Backbone interact. energy: -0.000 local terms energy: -21.374873 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -4.167 flat angles C4'-P-C4' energy: -4.627 flat angles P-C4'-P energy: -3.211 tors. eta vs tors. theta energy: -4.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -43.218702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.218702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.218702 (E_RNA) where: Base-Base interactions energy: -20.008 where: short stacking energy: -13.006 Base-Backbone interact. energy: -0.001 local terms energy: -23.209628 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.582 flat angles C4'-P-C4' energy: -5.619 flat angles P-C4'-P energy: -4.575 tors. eta vs tors. theta energy: -1.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -39.113128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.113128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.113128 (E_RNA) where: Base-Base interactions energy: -15.097 where: short stacking energy: -15.097 Base-Backbone interact. energy: -0.092 local terms energy: -23.923483 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -5.843 flat angles C4'-P-C4' energy: -4.598 flat angles P-C4'-P energy: -4.694 tors. eta vs tors. theta energy: -3.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -40.422545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.422545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.422545 (E_RNA) where: Base-Base interactions energy: -19.119 where: short stacking energy: -14.285 Base-Backbone interact. energy: 0.050 local terms energy: -21.353907 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -5.337 flat angles C4'-P-C4' energy: -5.517 flat angles P-C4'-P energy: -4.117 tors. eta vs tors. theta energy: -0.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -35.195103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.195103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.195103 (E_RNA) where: Base-Base interactions energy: -16.101 where: short stacking energy: -16.101 Base-Backbone interact. energy: -0.007 local terms energy: -19.086985 where: bonds (distance) C4'-P energy: -3.361 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -5.264 flat angles P-C4'-P energy: -2.038 tors. eta vs tors. theta energy: -2.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -31.504803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.504803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.504803 (E_RNA) where: Base-Base interactions energy: -13.117 where: short stacking energy: -13.117 Base-Backbone interact. energy: -0.124 local terms energy: -18.262921 where: bonds (distance) C4'-P energy: -3.833 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -4.637 flat angles P-C4'-P energy: -3.423 tors. eta vs tors. theta energy: 0.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -36.183166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.183166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.183166 (E_RNA) where: Base-Base interactions energy: -12.711 where: short stacking energy: -11.178 Base-Backbone interact. energy: -0.071 local terms energy: -23.401184 where: bonds (distance) C4'-P energy: -4.888 bonds (distance) P-C4' energy: -5.941 flat angles C4'-P-C4' energy: -4.618 flat angles P-C4'-P energy: -4.573 tors. eta vs tors. theta energy: -3.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -38.525758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.525758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.525758 (E_RNA) where: Base-Base interactions energy: -16.583 where: short stacking energy: -16.583 Base-Backbone interact. energy: -0.000 local terms energy: -21.943210 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -3.956 flat angles P-C4'-P energy: -3.525 tors. eta vs tors. theta energy: -2.779 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: 1, replica: 10 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -44.817796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.817796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.817796 (E_RNA) where: Base-Base interactions energy: -19.567 where: short stacking energy: -19.567 Base-Backbone interact. energy: -0.000 local terms energy: -25.250783 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.637 flat angles P-C4'-P energy: -3.943 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: 2, replica: 1 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -51.184719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.184719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.184719 (E_RNA) where: Base-Base interactions energy: -23.052 where: short stacking energy: -23.052 Base-Backbone interact. energy: -0.000 local terms energy: -28.132696 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -6.130 flat angles P-C4'-P energy: -4.952 tors. eta vs tors. theta energy: -5.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -43.651594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.651594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.651594 (E_RNA) where: Base-Base interactions energy: -19.723 where: short stacking energy: -17.082 Base-Backbone interact. energy: -0.125 local terms energy: -23.803570 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.681 flat angles P-C4'-P energy: -3.951 tors. eta vs tors. theta energy: -2.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -41.118888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.118888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.118888 (E_RNA) where: Base-Base interactions energy: -16.204 where: short stacking energy: -16.204 Base-Backbone interact. energy: -0.000 local terms energy: -24.915163 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -5.889 flat angles C4'-P-C4' energy: -6.141 flat angles P-C4'-P energy: -4.797 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: 5, replica: 4 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -44.061936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.061936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.061936 (E_RNA) where: Base-Base interactions energy: -23.074 where: short stacking energy: -5.208 Base-Backbone interact. energy: -0.042 local terms energy: -20.946824 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -4.593 flat angles P-C4'-P energy: -3.550 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: 6, replica: 9 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -39.643894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.643894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.643894 (E_RNA) where: Base-Base interactions energy: -21.752 where: short stacking energy: -9.287 Base-Backbone interact. energy: -0.182 local terms energy: -17.710036 where: bonds (distance) C4'-P energy: -5.393 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -3.476 flat angles P-C4'-P energy: -3.026 tors. eta vs tors. theta energy: 0.638 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: 7, replica: 2 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -34.464415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.464415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.464415 (E_RNA) where: Base-Base interactions energy: -14.615 where: short stacking energy: -14.615 Base-Backbone interact. energy: -0.051 local terms energy: -19.797910 where: bonds (distance) C4'-P energy: -5.287 bonds (distance) P-C4' energy: -5.512 flat angles C4'-P-C4' energy: -5.555 flat angles P-C4'-P energy: -2.007 tors. eta vs tors. theta energy: -1.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -36.361056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.361056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.361056 (E_RNA) where: Base-Base interactions energy: -11.597 where: short stacking energy: -11.597 Base-Backbone interact. energy: -0.650 local terms energy: -24.113457 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.400 flat angles P-C4'-P energy: -2.178 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: 6 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -30.338970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.338970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.338970 (E_RNA) where: Base-Base interactions energy: -10.092 where: short stacking energy: -10.092 Base-Backbone interact. energy: -0.000 local terms energy: -20.246877 where: bonds (distance) C4'-P energy: -3.530 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -3.632 flat angles P-C4'-P energy: -4.529 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: 10, replica: 3 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -32.031194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.031194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.031194 (E_RNA) where: Base-Base interactions energy: -12.809 where: short stacking energy: -7.055 Base-Backbone interact. energy: -0.105 local terms energy: -19.116934 where: bonds (distance) C4'-P energy: -5.252 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.723 flat angles P-C4'-P energy: -1.809 tors. eta vs tors. theta energy: 0.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -55.494586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.494586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.494586 (E_RNA) where: Base-Base interactions energy: -25.291 where: short stacking energy: -25.291 Base-Backbone interact. energy: -0.000 local terms energy: -30.203557 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.420 flat angles P-C4'-P energy: -4.555 tors. eta vs tors. theta energy: -6.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -48.203077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.203077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.203077 (E_RNA) where: Base-Base interactions energy: -23.156 where: short stacking energy: -23.156 Base-Backbone interact. energy: -0.079 local terms energy: -24.967894 where: bonds (distance) C4'-P energy: -4.400 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.585 flat angles P-C4'-P energy: -3.944 tors. eta vs tors. theta energy: -4.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -50.184676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.184676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.184676 (E_RNA) where: Base-Base interactions energy: -25.187 where: short stacking energy: -15.330 Base-Backbone interact. energy: -1.794 local terms energy: -23.203340 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.067 flat angles P-C4'-P energy: -3.731 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: 4, replica: 5 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -43.734944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.734944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.734944 (E_RNA) where: Base-Base interactions energy: -20.659 where: short stacking energy: -20.659 Base-Backbone interact. energy: -0.000 local terms energy: -23.076047 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -5.423 flat angles C4'-P-C4' energy: -2.489 flat angles P-C4'-P energy: -2.213 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: 5, replica: 9 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -43.087469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.087469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.087469 (E_RNA) where: Base-Base interactions energy: -17.213 where: short stacking energy: -17.213 Base-Backbone interact. energy: -0.001 local terms energy: -25.874052 where: bonds (distance) C4'-P energy: -4.747 bonds (distance) P-C4' energy: -6.184 flat angles C4'-P-C4' energy: -5.967 flat angles P-C4'-P energy: -5.026 tors. eta vs tors. theta energy: -3.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -34.832038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.832038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.832038 (E_RNA) where: Base-Base interactions energy: -13.323 where: short stacking energy: -10.710 Base-Backbone interact. energy: -0.114 local terms energy: -21.394714 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -5.629 flat angles P-C4'-P energy: -1.311 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: 7, replica: 8 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -39.754400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.754400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.754400 (E_RNA) where: Base-Base interactions energy: -16.085 where: short stacking energy: -16.085 Base-Backbone interact. energy: -0.002 local terms energy: -23.667587 where: bonds (distance) C4'-P energy: -5.037 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -4.419 flat angles P-C4'-P energy: -3.452 tors. eta vs tors. theta energy: -4.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -34.780849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.780849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.780849 (E_RNA) where: Base-Base interactions energy: -11.642 where: short stacking energy: -11.642 Base-Backbone interact. energy: -0.003 local terms energy: -23.135020 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -4.589 flat angles C4'-P-C4' energy: -5.501 flat angles P-C4'-P energy: -3.844 tors. eta vs tors. theta energy: -3.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -36.753542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.753542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.753542 (E_RNA) where: Base-Base interactions energy: -15.923 where: short stacking energy: -15.923 Base-Backbone interact. energy: -0.003 local terms energy: -20.827761 where: bonds (distance) C4'-P energy: -2.764 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -3.758 flat angles P-C4'-P energy: -4.155 tors. eta vs tors. theta energy: -3.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -33.734896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.734896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.734896 (E_RNA) where: Base-Base interactions energy: -13.823 where: short stacking energy: -13.823 Base-Backbone interact. energy: -0.027 local terms energy: -19.885309 where: bonds (distance) C4'-P energy: -3.601 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.118 flat angles P-C4'-P energy: -3.718 tors. eta vs tors. theta energy: -0.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -51.587644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.587644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.587644 (E_RNA) where: Base-Base interactions energy: -25.925 where: short stacking energy: -18.637 Base-Backbone interact. energy: -0.030 local terms energy: -25.632023 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -6.480 flat angles P-C4'-P energy: -3.806 tors. eta vs tors. theta energy: -3.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -41.689120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.689120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.689120 (E_RNA) where: Base-Base interactions energy: -16.685 where: short stacking energy: -16.685 Base-Backbone interact. energy: -0.030 local terms energy: -24.973874 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -6.355 flat angles C4'-P-C4' energy: -5.355 flat angles P-C4'-P energy: -4.288 tors. eta vs tors. theta energy: -2.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -51.090511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.090511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.090511 (E_RNA) where: Base-Base interactions energy: -26.151 where: short stacking energy: -26.151 Base-Backbone interact. energy: -0.000 local terms energy: -24.939601 where: bonds (distance) C4'-P energy: -5.287 bonds (distance) P-C4' energy: -5.309 flat angles C4'-P-C4' energy: -5.819 flat angles P-C4'-P energy: -2.692 tors. eta vs tors. theta energy: -5.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -39.810004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.810004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.810004 (E_RNA) where: Base-Base interactions energy: -18.875 where: short stacking energy: -17.706 Base-Backbone interact. energy: -0.006 local terms energy: -20.929284 where: bonds (distance) C4'-P energy: -5.055 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -3.040 flat angles P-C4'-P energy: -4.629 tors. eta vs tors. theta energy: -2.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -48.084029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.084029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.084029 (E_RNA) where: Base-Base interactions energy: -18.990 where: short stacking energy: -18.990 Base-Backbone interact. energy: -0.000 local terms energy: -29.093551 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.206 flat angles C4'-P-C4' energy: -5.350 flat angles P-C4'-P energy: -4.711 tors. eta vs tors. theta energy: -6.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -39.293915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.293915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.293915 (E_RNA) where: Base-Base interactions energy: -16.837 where: short stacking energy: -13.307 Base-Backbone interact. energy: -0.679 local terms energy: -21.777982 where: bonds (distance) C4'-P energy: -3.539 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -6.522 flat angles P-C4'-P energy: -4.011 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: 7, replica: 4 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -37.883761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.883761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.883761 (E_RNA) where: Base-Base interactions energy: -12.992 where: short stacking energy: -12.992 Base-Backbone interact. energy: -0.000 local terms energy: -24.891216 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.973 flat angles C4'-P-C4' energy: -6.200 flat angles P-C4'-P energy: -1.591 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: 8, replica: 2 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -40.748126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.748126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.748126 (E_RNA) where: Base-Base interactions energy: -15.620 where: short stacking energy: -15.626 Base-Backbone interact. energy: -0.000 local terms energy: -25.128349 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -6.029 flat angles P-C4'-P energy: -3.261 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: 9, replica: 6 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -35.789863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.789863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.789863 (E_RNA) where: Base-Base interactions energy: -18.722 where: short stacking energy: -14.350 Base-Backbone interact. energy: -1.130 local terms energy: -15.937990 where: bonds (distance) C4'-P energy: -2.918 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -3.674 flat angles P-C4'-P energy: -3.999 tors. eta vs tors. theta energy: -1.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -37.087453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.087453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.087453 (E_RNA) where: Base-Base interactions energy: -13.077 where: short stacking energy: -13.077 Base-Backbone interact. energy: -0.003 local terms energy: -24.007555 where: bonds (distance) C4'-P energy: -5.145 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.281 flat angles P-C4'-P energy: -4.304 tors. eta vs tors. theta energy: -2.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -48.974806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.974806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.974806 (E_RNA) where: Base-Base interactions energy: -28.526 where: short stacking energy: -19.465 Base-Backbone interact. energy: -0.090 local terms energy: -20.359176 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -3.932 flat angles C4'-P-C4' energy: -5.673 flat angles P-C4'-P energy: -2.230 tors. eta vs tors. theta energy: -3.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -53.669082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.669082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.669082 (E_RNA) where: Base-Base interactions energy: -24.430 where: short stacking energy: -24.430 Base-Backbone interact. energy: -0.000 local terms energy: -29.238887 where: bonds (distance) C4'-P energy: -5.179 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -6.224 flat angles P-C4'-P energy: -3.420 tors. eta vs tors. theta energy: -7.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -43.565468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.565468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.565468 (E_RNA) where: Base-Base interactions energy: -15.094 where: short stacking energy: -15.094 Base-Backbone interact. energy: -0.000 local terms energy: -28.471599 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.659 flat angles P-C4'-P energy: -4.366 tors. eta vs tors. theta energy: -5.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -41.717489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.717489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.717489 (E_RNA) where: Base-Base interactions energy: -13.109 where: short stacking energy: -10.340 Base-Backbone interact. energy: -0.000 local terms energy: -28.608480 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.032 flat angles P-C4'-P energy: -4.060 tors. eta vs tors. theta energy: -6.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -43.474801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.474801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.474801 (E_RNA) where: Base-Base interactions energy: -16.665 where: short stacking energy: -15.849 Base-Backbone interact. energy: -0.087 local terms energy: -26.723028 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -5.432 flat angles C4'-P-C4' energy: -4.862 flat angles P-C4'-P energy: -4.446 tors. eta vs tors. theta energy: -5.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -36.028542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.028542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.028542 (E_RNA) where: Base-Base interactions energy: -16.330 where: short stacking energy: -16.330 Base-Backbone interact. energy: -0.001 local terms energy: -19.697880 where: bonds (distance) C4'-P energy: -4.603 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.868 flat angles P-C4'-P energy: -2.968 tors. eta vs tors. theta energy: -1.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -39.041421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.041421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.041421 (E_RNA) where: Base-Base interactions energy: -14.485 where: short stacking energy: -14.485 Base-Backbone interact. energy: -0.018 local terms energy: -24.538724 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.952 flat angles P-C4'-P energy: -3.859 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: 8, replica: 4 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -37.568694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.568694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.568694 (E_RNA) where: Base-Base interactions energy: -16.058 where: short stacking energy: -16.058 Base-Backbone interact. energy: -0.000 local terms energy: -21.510815 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -4.821 flat angles C4'-P-C4' energy: -5.921 flat angles P-C4'-P energy: -1.913 tors. eta vs tors. theta energy: -2.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -32.237403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.237403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.237403 (E_RNA) where: Base-Base interactions energy: -10.146 where: short stacking energy: -10.146 Base-Backbone interact. energy: -0.029 local terms energy: -22.062348 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -3.983 flat angles P-C4'-P energy: -3.186 tors. eta vs tors. theta energy: -2.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -34.096791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.096791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.096791 (E_RNA) where: Base-Base interactions energy: -12.105 where: short stacking energy: -12.105 Base-Backbone interact. energy: -0.002 local terms energy: -21.989613 where: bonds (distance) C4'-P energy: -2.603 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -6.397 flat angles P-C4'-P energy: -4.261 tors. eta vs tors. theta energy: -2.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -50.487132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.487132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.487132 (E_RNA) where: Base-Base interactions energy: -25.041 where: short stacking energy: -25.041 Base-Backbone interact. energy: -0.000 local terms energy: -25.446440 where: bonds (distance) C4'-P energy: -3.965 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.533 flat angles P-C4'-P energy: -2.149 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: 2, replica: 9 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -46.734825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.734825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.734825 (E_RNA) where: Base-Base interactions energy: -20.449 where: short stacking energy: -20.449 Base-Backbone interact. energy: -0.000 local terms energy: -26.285515 where: bonds (distance) C4'-P energy: -3.449 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.298 flat angles P-C4'-P energy: -4.609 tors. eta vs tors. theta energy: -5.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -55.530844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.530844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.530844 (E_RNA) where: Base-Base interactions energy: -27.100 where: short stacking energy: -18.930 Base-Backbone interact. energy: -0.000 local terms energy: -28.430762 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.218 flat angles P-C4'-P energy: -4.181 tors. eta vs tors. theta energy: -6.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -43.195936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.195936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.195936 (E_RNA) where: Base-Base interactions energy: -16.183 where: short stacking energy: -11.991 Base-Backbone interact. energy: -1.726 local terms energy: -25.287473 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.956 flat angles P-C4'-P energy: -4.791 tors. eta vs tors. theta energy: -2.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -39.265692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.265692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.265692 (E_RNA) where: Base-Base interactions energy: -17.213 where: short stacking energy: -17.213 Base-Backbone interact. energy: -0.000 local terms energy: -22.052494 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -3.502 flat angles C4'-P-C4' energy: -5.086 flat angles P-C4'-P energy: -2.845 tors. eta vs tors. theta energy: -4.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -39.463515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.463515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.463515 (E_RNA) where: Base-Base interactions energy: -16.707 where: short stacking energy: -12.334 Base-Backbone interact. energy: -0.102 local terms energy: -22.654170 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.209 flat angles P-C4'-P energy: -3.206 tors. eta vs tors. theta energy: -3.041 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: 5 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -37.660100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.660100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.660100 (E_RNA) where: Base-Base interactions energy: -16.503 where: short stacking energy: -16.503 Base-Backbone interact. energy: -0.001 local terms energy: -21.156586 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -5.166 flat angles P-C4'-P energy: -2.331 tors. eta vs tors. theta energy: -0.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -32.515763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.515763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.515763 (E_RNA) where: Base-Base interactions energy: -15.228 where: short stacking energy: -11.855 Base-Backbone interact. energy: -0.021 local terms energy: -17.266964 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -4.123 flat angles C4'-P-C4' energy: -4.154 flat angles P-C4'-P energy: -2.528 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: 4 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -33.234245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.234245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.234245 (E_RNA) where: Base-Base interactions energy: -16.821 where: short stacking energy: -9.749 Base-Backbone interact. energy: -0.013 local terms energy: -16.400233 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -5.018 flat angles C4'-P-C4' energy: -2.906 flat angles P-C4'-P energy: -2.248 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: 10, replica: 6 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -29.778685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.778685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.778685 (E_RNA) where: Base-Base interactions energy: -13.906 where: short stacking energy: -4.807 Base-Backbone interact. energy: -0.088 local terms energy: -15.784398 where: bonds (distance) C4'-P energy: -3.680 bonds (distance) P-C4' energy: -5.843 flat angles C4'-P-C4' energy: -5.168 flat angles P-C4'-P energy: -1.431 tors. eta vs tors. theta energy: 0.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -46.243635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.243635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.243635 (E_RNA) where: Base-Base interactions energy: -22.056 where: short stacking energy: -22.056 Base-Backbone interact. energy: -0.000 local terms energy: -24.187315 where: bonds (distance) C4'-P energy: -3.494 bonds (distance) P-C4' energy: -4.790 flat angles C4'-P-C4' energy: -6.042 flat angles P-C4'-P energy: -3.948 tors. eta vs tors. theta energy: -5.913 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: 2, replica: 1 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -54.824785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.824785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.824785 (E_RNA) where: Base-Base interactions energy: -26.295 where: short stacking energy: -26.295 Base-Backbone interact. energy: -0.000 local terms energy: -28.530227 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -5.604 flat angles C4'-P-C4' energy: -5.633 flat angles P-C4'-P energy: -4.159 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: 3, replica: 8 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -45.992954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.992954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.992954 (E_RNA) where: Base-Base interactions energy: -22.801 where: short stacking energy: -15.065 Base-Backbone interact. energy: -0.000 local terms energy: -23.191907 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.733 flat angles P-C4'-P energy: -4.563 tors. eta vs tors. theta energy: -0.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -39.892114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.892114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.892114 (E_RNA) where: Base-Base interactions energy: -17.324 where: short stacking energy: -9.045 Base-Backbone interact. energy: -0.073 local terms energy: -22.495414 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.432 flat angles P-C4'-P energy: -4.290 tors. eta vs tors. theta energy: -3.414 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: 2 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -42.702460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.702460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.702460 (E_RNA) where: Base-Base interactions energy: -18.989 where: short stacking energy: -8.388 Base-Backbone interact. energy: -0.004 local terms energy: -23.709247 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -3.088 flat angles P-C4'-P energy: -3.912 tors. eta vs tors. theta energy: -4.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -43.036758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.036758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.036758 (E_RNA) where: Base-Base interactions energy: -21.154 where: short stacking energy: -21.154 Base-Backbone interact. energy: -0.000 local terms energy: -21.882283 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -4.491 flat angles C4'-P-C4' energy: -4.474 flat angles P-C4'-P energy: -2.873 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: 7, replica: 3 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -34.820033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.820033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.820033 (E_RNA) where: Base-Base interactions energy: -11.903 where: short stacking energy: -11.903 Base-Backbone interact. energy: -0.003 local terms energy: -22.913944 where: bonds (distance) C4'-P energy: -3.341 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.960 flat angles P-C4'-P energy: -2.893 tors. eta vs tors. theta energy: -4.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -38.065396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.065396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.065396 (E_RNA) where: Base-Base interactions energy: -14.846 where: short stacking energy: -14.846 Base-Backbone interact. energy: -1.057 local terms energy: -22.162040 where: bonds (distance) C4'-P energy: -5.063 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -4.673 flat angles P-C4'-P energy: -3.018 tors. eta vs tors. theta energy: -3.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -33.332314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.332314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.332314 (E_RNA) where: Base-Base interactions energy: -13.753 where: short stacking energy: -13.753 Base-Backbone interact. energy: -0.001 local terms energy: -19.578211 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -4.757 flat angles P-C4'-P energy: -1.160 tors. eta vs tors. theta energy: -1.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -35.559122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.559122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.559122 (E_RNA) where: Base-Base interactions energy: -12.006 where: short stacking energy: -7.298 Base-Backbone interact. energy: -0.005 local terms energy: -23.548098 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -2.798 flat angles P-C4'-P energy: -3.153 tors. eta vs tors. theta energy: -5.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -48.288391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.288391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.288391 (E_RNA) where: Base-Base interactions energy: -21.424 where: short stacking energy: -21.424 Base-Backbone interact. energy: -0.000 local terms energy: -26.864179 where: bonds (distance) C4'-P energy: -5.039 bonds (distance) P-C4' energy: -4.755 flat angles C4'-P-C4' energy: -6.451 flat angles P-C4'-P energy: -4.390 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: 2, replica: 1 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -43.457139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.457139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.457139 (E_RNA) where: Base-Base interactions energy: -17.785 where: short stacking energy: -17.785 Base-Backbone interact. energy: -0.000 local terms energy: -25.672470 where: bonds (distance) C4'-P energy: -4.135 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.368 flat angles P-C4'-P energy: -5.041 tors. eta vs tors. theta energy: -4.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -45.301540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.301540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.301540 (E_RNA) where: Base-Base interactions energy: -21.187 where: short stacking energy: -17.465 Base-Backbone interact. energy: -0.002 local terms energy: -24.112075 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.271 flat angles P-C4'-P energy: -2.753 tors. eta vs tors. theta energy: -3.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -45.539767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.539767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.539767 (E_RNA) where: Base-Base interactions energy: -22.058 where: short stacking energy: -22.058 Base-Backbone interact. energy: -0.000 local terms energy: -23.481334 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -5.442 flat angles C4'-P-C4' energy: -4.285 flat angles P-C4'-P energy: -2.697 tors. eta vs tors. theta energy: -5.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -40.308466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.308466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.308466 (E_RNA) where: Base-Base interactions energy: -18.942 where: short stacking energy: -18.942 Base-Backbone interact. energy: -0.027 local terms energy: -21.339883 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.514 flat angles P-C4'-P energy: 0.785 tors. eta vs tors. theta energy: -5.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -37.745693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.745693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.745693 (E_RNA) where: Base-Base interactions energy: -13.477 where: short stacking energy: -13.305 Base-Backbone interact. energy: -0.000 local terms energy: -24.268271 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.159 flat angles P-C4'-P energy: -3.685 tors. eta vs tors. theta energy: -3.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -41.216770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.216770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.216770 (E_RNA) where: Base-Base interactions energy: -19.608 where: short stacking energy: -19.608 Base-Backbone interact. energy: -0.000 local terms energy: -21.608961 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -4.879 flat angles C4'-P-C4' energy: -4.789 flat angles P-C4'-P energy: -2.210 tors. eta vs tors. theta energy: -3.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -32.209057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.209057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.209057 (E_RNA) where: Base-Base interactions energy: -12.413 where: short stacking energy: -12.413 Base-Backbone interact. energy: -0.141 local terms energy: -19.655450 where: bonds (distance) C4'-P energy: -3.245 bonds (distance) P-C4' energy: -5.861 flat angles C4'-P-C4' energy: -4.706 flat angles P-C4'-P energy: -4.686 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: 9, replica: 5 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -32.142699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.142699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.142699 (E_RNA) where: Base-Base interactions energy: -8.344 where: short stacking energy: -8.344 Base-Backbone interact. energy: -0.096 local terms energy: -23.702346 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -4.722 flat angles P-C4'-P energy: -4.684 tors. eta vs tors. theta energy: -2.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -32.761694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.761694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.761694 (E_RNA) where: Base-Base interactions energy: -14.582 where: short stacking energy: -14.582 Base-Backbone interact. energy: -0.001 local terms energy: -18.178496 where: bonds (distance) C4'-P energy: -3.200 bonds (distance) P-C4' energy: -3.714 flat angles C4'-P-C4' energy: -5.284 flat angles P-C4'-P energy: -3.671 tors. eta vs tors. theta energy: -2.310 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: 1, replica: 9 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -47.121700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.121700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.121700 (E_RNA) where: Base-Base interactions energy: -21.033 where: short stacking energy: -14.722 Base-Backbone interact. energy: -0.000 local terms energy: -26.088487 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -6.647 flat angles P-C4'-P energy: -3.830 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: 2, replica: 1 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -46.077526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.077526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.077526 (E_RNA) where: Base-Base interactions energy: -23.236 where: short stacking energy: -14.520 Base-Backbone interact. energy: -0.064 local terms energy: -22.776926 where: bonds (distance) C4'-P energy: -3.519 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.539 flat angles P-C4'-P energy: -5.209 tors. eta vs tors. theta energy: -2.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -47.516903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.516903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.516903 (E_RNA) where: Base-Base interactions energy: -20.906 where: short stacking energy: -20.906 Base-Backbone interact. energy: -0.000 local terms energy: -26.611198 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -7.147 flat angles C4'-P-C4' energy: -3.689 flat angles P-C4'-P energy: -4.937 tors. eta vs tors. theta energy: -5.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -42.498409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.498409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.498409 (E_RNA) where: Base-Base interactions energy: -19.328 where: short stacking energy: -17.050 Base-Backbone interact. energy: -0.031 local terms energy: -23.139210 where: bonds (distance) C4'-P energy: -5.625 bonds (distance) P-C4' energy: -5.279 flat angles C4'-P-C4' energy: -5.605 flat angles P-C4'-P energy: -0.799 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: 5, replica: 3 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -45.489860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.489860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.489860 (E_RNA) where: Base-Base interactions energy: -23.116 where: short stacking energy: -16.950 Base-Backbone interact. energy: -0.014 local terms energy: -22.360310 where: bonds (distance) C4'-P energy: -4.843 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -2.998 flat angles P-C4'-P energy: -5.336 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: 6, replica: 7 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -37.663837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.663837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.663837 (E_RNA) where: Base-Base interactions energy: -14.904 where: short stacking energy: -8.631 Base-Backbone interact. energy: 0.104 local terms energy: -22.864146 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -4.910 flat angles P-C4'-P energy: -4.163 tors. eta vs tors. theta energy: -2.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -37.821092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.821092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.821092 (E_RNA) where: Base-Base interactions energy: -14.320 where: short stacking energy: -14.320 Base-Backbone interact. energy: -0.016 local terms energy: -23.485194 where: bonds (distance) C4'-P energy: -3.750 bonds (distance) P-C4' energy: -4.252 flat angles C4'-P-C4' energy: -6.229 flat angles P-C4'-P energy: -4.785 tors. eta vs tors. theta energy: -4.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -39.602165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.602165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.602165 (E_RNA) where: Base-Base interactions energy: -16.123 where: short stacking energy: -16.123 Base-Backbone interact. energy: -0.000 local terms energy: -23.479154 where: bonds (distance) C4'-P energy: -3.555 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.230 flat angles P-C4'-P energy: -4.438 tors. eta vs tors. theta energy: -3.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -30.768210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.768210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.768210 (E_RNA) where: Base-Base interactions energy: -9.199 where: short stacking energy: -8.714 Base-Backbone interact. energy: -0.014 local terms energy: -21.555723 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -5.932 flat angles P-C4'-P energy: -2.569 tors. eta vs tors. theta energy: -0.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -32.153189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.153189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.153189 (E_RNA) where: Base-Base interactions energy: -8.792 where: short stacking energy: -8.015 Base-Backbone interact. energy: -0.003 local terms energy: -23.358071 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.093 flat angles P-C4'-P energy: -5.137 tors. eta vs tors. theta energy: 0.241 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: 9 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -45.226394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.226394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.226394 (E_RNA) where: Base-Base interactions energy: -20.341 where: short stacking energy: -20.341 Base-Backbone interact. energy: -0.098 local terms energy: -24.786982 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -4.306 flat angles C4'-P-C4' energy: -5.937 flat angles P-C4'-P energy: -4.686 tors. eta vs tors. theta energy: -3.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -46.289864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.289864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.289864 (E_RNA) where: Base-Base interactions energy: -22.537 where: short stacking energy: -22.537 Base-Backbone interact. energy: -0.000 local terms energy: -23.752768 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -5.522 flat angles C4'-P-C4' energy: -5.324 flat angles P-C4'-P energy: -3.740 tors. eta vs tors. theta energy: -3.898 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: 1 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -45.949938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.949938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.949938 (E_RNA) where: Base-Base interactions energy: -22.219 where: short stacking energy: -17.206 Base-Backbone interact. energy: -0.029 local terms energy: -23.702244 where: bonds (distance) C4'-P energy: -6.147 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -6.078 flat angles P-C4'-P energy: -2.705 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: 4, replica: 3 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -48.539470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.539470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.539470 (E_RNA) where: Base-Base interactions energy: -21.307 where: short stacking energy: -21.307 Base-Backbone interact. energy: -0.000 local terms energy: -27.232707 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.497 flat angles P-C4'-P energy: -4.603 tors. eta vs tors. theta energy: -5.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -41.712052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.712052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.712052 (E_RNA) where: Base-Base interactions energy: -20.160 where: short stacking energy: -15.069 Base-Backbone interact. energy: -0.022 local terms energy: -21.530085 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -4.585 flat angles C4'-P-C4' energy: -5.303 flat angles P-C4'-P energy: -3.441 tors. eta vs tors. theta energy: -1.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -40.712041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.712041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.712041 (E_RNA) where: Base-Base interactions energy: -16.467 where: short stacking energy: -16.467 Base-Backbone interact. energy: -0.000 local terms energy: -24.244798 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -5.868 flat angles C4'-P-C4' energy: -5.747 flat angles P-C4'-P energy: -1.974 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: 7, replica: 7 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -32.631688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.631688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.631688 (E_RNA) where: Base-Base interactions energy: -13.244 where: short stacking energy: -7.066 Base-Backbone interact. energy: -0.054 local terms energy: -19.334479 where: bonds (distance) C4'-P energy: -4.859 bonds (distance) P-C4' energy: -3.969 flat angles C4'-P-C4' energy: -5.198 flat angles P-C4'-P energy: -5.179 tors. eta vs tors. theta energy: -0.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -39.591476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.591476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.591476 (E_RNA) where: Base-Base interactions energy: -20.646 where: short stacking energy: -13.879 Base-Backbone interact. energy: -0.154 local terms energy: -18.791475 where: bonds (distance) C4'-P energy: -4.665 bonds (distance) P-C4' energy: -4.883 flat angles C4'-P-C4' energy: -6.201 flat angles P-C4'-P energy: -3.435 tors. eta vs tors. theta energy: 0.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -39.828184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.828184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.828184 (E_RNA) where: Base-Base interactions energy: -17.055 where: short stacking energy: -16.574 Base-Backbone interact. energy: -0.004 local terms energy: -22.769657 where: bonds (distance) C4'-P energy: -2.988 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -3.030 flat angles P-C4'-P energy: -4.901 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: 5 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -33.334027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.334027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.334027 (E_RNA) where: Base-Base interactions energy: -11.711 where: short stacking energy: -8.582 Base-Backbone interact. energy: -0.089 local terms energy: -21.534141 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -4.099 flat angles P-C4'-P energy: -2.398 tors. eta vs tors. theta energy: -2.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -45.122728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.122728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.122728 (E_RNA) where: Base-Base interactions energy: -19.040 where: short stacking energy: -19.040 Base-Backbone interact. energy: -0.000 local terms energy: -26.082823 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.390 flat angles P-C4'-P energy: -4.103 tors. eta vs tors. theta energy: -5.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -45.214277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.214277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.214277 (E_RNA) where: Base-Base interactions energy: -20.196 where: short stacking energy: -20.196 Base-Backbone interact. energy: -0.000 local terms energy: -25.017902 where: bonds (distance) C4'-P energy: -4.288 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.036 flat angles P-C4'-P energy: -3.207 tors. eta vs tors. theta energy: -4.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -43.652034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.652034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.652034 (E_RNA) where: Base-Base interactions energy: -19.628 where: short stacking energy: -15.957 Base-Backbone interact. energy: -0.008 local terms energy: -24.016063 where: bonds (distance) C4'-P energy: -4.665 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -6.222 flat angles P-C4'-P energy: -4.132 tors. eta vs tors. theta energy: -2.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -36.619210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.619210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.619210 (E_RNA) where: Base-Base interactions energy: -17.378 where: short stacking energy: -17.378 Base-Backbone interact. energy: -0.008 local terms energy: -19.233078 where: bonds (distance) C4'-P energy: -5.303 bonds (distance) P-C4' energy: -3.798 flat angles C4'-P-C4' energy: -4.724 flat angles P-C4'-P energy: -4.313 tors. eta vs tors. theta energy: -1.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -40.718268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.718268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.718268 (E_RNA) where: Base-Base interactions energy: -17.024 where: short stacking energy: -17.024 Base-Backbone interact. energy: -0.000 local terms energy: -23.694149 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.378 flat angles P-C4'-P energy: -3.694 tors. eta vs tors. theta energy: -2.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -38.948182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.948182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.948182 (E_RNA) where: Base-Base interactions energy: -14.918 where: short stacking energy: -14.918 Base-Backbone interact. energy: -0.000 local terms energy: -24.029494 where: bonds (distance) C4'-P energy: -4.268 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -4.738 flat angles P-C4'-P energy: -3.683 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: 7, replica: 4 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -39.972370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.972370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.972370 (E_RNA) where: Base-Base interactions energy: -15.267 where: short stacking energy: -15.267 Base-Backbone interact. energy: -0.019 local terms energy: -24.686263 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -6.412 flat angles P-C4'-P energy: -3.176 tors. eta vs tors. theta energy: -3.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -38.179449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.179449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.179449 (E_RNA) where: Base-Base interactions energy: -16.878 where: short stacking energy: -15.693 Base-Backbone interact. energy: -0.009 local terms energy: -21.292490 where: bonds (distance) C4'-P energy: -3.431 bonds (distance) P-C4' energy: -4.847 flat angles C4'-P-C4' energy: -6.316 flat angles P-C4'-P energy: -4.577 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: 9, replica: 5 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -31.759490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.759490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.759490 (E_RNA) where: Base-Base interactions energy: -12.243 where: short stacking energy: -12.243 Base-Backbone interact. energy: -0.208 local terms energy: -19.308163 where: bonds (distance) C4'-P energy: -3.026 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.890 flat angles P-C4'-P energy: -3.960 tors. eta vs tors. theta energy: -0.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -38.200312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.200312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.200312 (E_RNA) where: Base-Base interactions energy: -17.596 where: short stacking energy: -11.600 Base-Backbone interact. energy: -0.064 local terms energy: -20.540920 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -5.632 flat angles P-C4'-P energy: -2.453 tors. eta vs tors. theta energy: -2.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -47.212049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.212049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.212049 (E_RNA) where: Base-Base interactions energy: -21.250 where: short stacking energy: -21.250 Base-Backbone interact. energy: -0.001 local terms energy: -25.961589 where: bonds (distance) C4'-P energy: -5.055 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.426 flat angles P-C4'-P energy: -5.182 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: 2, replica: 3 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -51.516755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.516755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.516755 (E_RNA) where: Base-Base interactions energy: -24.480 where: short stacking energy: -24.480 Base-Backbone interact. energy: -0.000 local terms energy: -27.036390 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -5.171 flat angles C4'-P-C4' energy: -6.481 flat angles P-C4'-P energy: -3.447 tors. eta vs tors. theta energy: -6.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -49.345653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.345653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.345653 (E_RNA) where: Base-Base interactions energy: -23.479 where: short stacking energy: -23.479 Base-Backbone interact. energy: -0.000 local terms energy: -25.866313 where: bonds (distance) C4'-P energy: -4.143 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.062 flat angles P-C4'-P energy: -3.171 tors. eta vs tors. theta energy: -6.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -38.884007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.884007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.884007 (E_RNA) where: Base-Base interactions energy: -16.578 where: short stacking energy: -13.246 Base-Backbone interact. energy: 0.534 local terms energy: -22.839983 where: bonds (distance) C4'-P energy: -4.077 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -5.636 flat angles P-C4'-P energy: -5.183 tors. eta vs tors. theta energy: -2.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -41.046080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.046080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.046080 (E_RNA) where: Base-Base interactions energy: -15.560 where: short stacking energy: -15.560 Base-Backbone interact. energy: -0.000 local terms energy: -25.485201 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.329 flat angles P-C4'-P energy: -3.971 tors. eta vs tors. theta energy: -3.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -30.759405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.759405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.759405 (E_RNA) where: Base-Base interactions energy: -10.239 where: short stacking energy: -5.863 Base-Backbone interact. energy: -0.013 local terms energy: -20.507573 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.393 flat angles P-C4'-P energy: -4.092 tors. eta vs tors. theta energy: 1.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -43.538352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.538352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.538352 (E_RNA) where: Base-Base interactions energy: -18.253 where: short stacking energy: -18.253 Base-Backbone interact. energy: -0.000 local terms energy: -25.284906 where: bonds (distance) C4'-P energy: -3.862 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.137 flat angles P-C4'-P energy: -4.319 tors. eta vs tors. theta energy: -5.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -34.391395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.391395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.391395 (E_RNA) where: Base-Base interactions energy: -12.842 where: short stacking energy: -12.842 Base-Backbone interact. energy: -0.012 local terms energy: -21.537788 where: bonds (distance) C4'-P energy: -3.506 bonds (distance) P-C4' energy: -6.149 flat angles C4'-P-C4' energy: -4.976 flat angles P-C4'-P energy: -4.309 tors. eta vs tors. theta energy: -2.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -30.553368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.553368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.553368 (E_RNA) where: Base-Base interactions energy: -9.696 where: short stacking energy: -9.696 Base-Backbone interact. energy: -0.001 local terms energy: -20.856623 where: bonds (distance) C4'-P energy: -4.011 bonds (distance) P-C4' energy: -5.604 flat angles C4'-P-C4' energy: -4.510 flat angles P-C4'-P energy: -3.426 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: 10 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -38.721522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.721522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.721522 (E_RNA) where: Base-Base interactions energy: -16.402 where: short stacking energy: -14.943 Base-Backbone interact. energy: -0.499 local terms energy: -21.820683 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -4.575 flat angles P-C4'-P energy: -4.172 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: 1, replica: 3 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -54.203138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.203138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.203138 (E_RNA) where: Base-Base interactions energy: -26.186 where: short stacking energy: -26.186 Base-Backbone interact. energy: -0.000 local terms energy: -28.017513 where: bonds (distance) C4'-P energy: -4.346 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.675 flat angles P-C4'-P energy: -3.775 tors. eta vs tors. theta energy: -7.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -50.301350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.301350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.301350 (E_RNA) where: Base-Base interactions energy: -21.148 where: short stacking energy: -21.148 Base-Backbone interact. energy: -0.000 local terms energy: -29.153473 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.740 flat angles P-C4'-P energy: -5.041 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: 3, replica: 1 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -39.527841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.527841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.527841 (E_RNA) where: Base-Base interactions energy: -19.032 where: short stacking energy: -19.032 Base-Backbone interact. energy: -0.001 local terms energy: -20.494699 where: bonds (distance) C4'-P energy: -2.756 bonds (distance) P-C4' energy: -5.184 flat angles C4'-P-C4' energy: -6.127 flat angles P-C4'-P energy: -4.240 tors. eta vs tors. theta energy: -2.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -43.255565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.255565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.255565 (E_RNA) where: Base-Base interactions energy: -23.845 where: short stacking energy: -13.216 Base-Backbone interact. energy: -0.007 local terms energy: -19.403581 where: bonds (distance) C4'-P energy: -4.802 bonds (distance) P-C4' energy: -4.646 flat angles C4'-P-C4' energy: -4.805 flat angles P-C4'-P energy: -2.878 tors. eta vs tors. theta energy: -2.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -45.568653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.568653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.568653 (E_RNA) where: Base-Base interactions energy: -16.265 where: short stacking energy: -16.265 Base-Backbone interact. energy: -0.000 local terms energy: -29.304000 where: bonds (distance) C4'-P energy: -5.163 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -6.588 flat angles P-C4'-P energy: -4.280 tors. eta vs tors. theta energy: -6.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -34.602644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.602644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.602644 (E_RNA) where: Base-Base interactions energy: -10.435 where: short stacking energy: -10.435 Base-Backbone interact. energy: -0.000 local terms energy: -24.167621 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -5.904 flat angles P-C4'-P energy: -3.870 tors. eta vs tors. theta energy: -1.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -36.076409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.076409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.076409 (E_RNA) where: Base-Base interactions energy: -14.705 where: short stacking energy: -14.705 Base-Backbone interact. energy: -0.006 local terms energy: -21.365510 where: bonds (distance) C4'-P energy: -3.928 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.670 flat angles P-C4'-P energy: -3.225 tors. eta vs tors. theta energy: -1.403 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: 8 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -40.709376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.709376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.709376 (E_RNA) where: Base-Base interactions energy: -17.539 where: short stacking energy: -17.539 Base-Backbone interact. energy: -0.001 local terms energy: -23.169275 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -4.881 flat angles C4'-P-C4' energy: -4.137 flat angles P-C4'-P energy: -4.073 tors. eta vs tors. theta energy: -4.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -35.568999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.568999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.568999 (E_RNA) where: Base-Base interactions energy: -14.552 where: short stacking energy: -12.205 Base-Backbone interact. energy: -0.003 local terms energy: -21.013557 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -5.429 flat angles P-C4'-P energy: -2.314 tors. eta vs tors. theta energy: -1.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -33.542562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.542562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.542562 (E_RNA) where: Base-Base interactions energy: -13.620 where: short stacking energy: -11.232 Base-Backbone interact. energy: -0.090 local terms energy: -19.832717 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -6.384 flat angles P-C4'-P energy: -1.833 tors. eta vs tors. theta energy: 0.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -45.468847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.468847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.468847 (E_RNA) where: Base-Base interactions energy: -19.131 where: short stacking energy: -19.131 Base-Backbone interact. energy: -0.002 local terms energy: -26.336017 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.212 flat angles P-C4'-P energy: -3.313 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: 2, replica: 9 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -49.309342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.309342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.309342 (E_RNA) where: Base-Base interactions energy: -21.552 where: short stacking energy: -21.552 Base-Backbone interact. energy: -0.000 local terms energy: -27.757650 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -5.209 flat angles C4'-P-C4' energy: -5.865 flat angles P-C4'-P energy: -4.981 tors. eta vs tors. theta energy: -5.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -40.275912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.275912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.275912 (E_RNA) where: Base-Base interactions energy: -20.452 where: short stacking energy: -15.124 Base-Backbone interact. energy: -0.042 local terms energy: -19.781502 where: bonds (distance) C4'-P energy: -3.957 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -4.798 flat angles P-C4'-P energy: -1.065 tors. eta vs tors. theta energy: -3.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -46.946342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.946342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.946342 (E_RNA) where: Base-Base interactions energy: -21.732 where: short stacking energy: -21.732 Base-Backbone interact. energy: -0.047 local terms energy: -25.167844 where: bonds (distance) C4'-P energy: -3.858 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.435 flat angles P-C4'-P energy: -3.400 tors. eta vs tors. theta energy: -4.856 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: 193 Temperature: 1.100000 Total energy: -33.180204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.180204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.180204 (E_RNA) where: Base-Base interactions energy: -12.620 where: short stacking energy: -12.620 Base-Backbone interact. energy: -0.048 local terms energy: -20.512212 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -5.506 flat angles C4'-P-C4' energy: -6.063 flat angles P-C4'-P energy: -3.242 tors. eta vs tors. theta energy: -0.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -35.948690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.948690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.948690 (E_RNA) where: Base-Base interactions energy: -13.011 where: short stacking energy: -10.601 Base-Backbone interact. energy: -0.034 local terms energy: -22.904116 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -6.108 flat angles P-C4'-P energy: -2.187 tors. eta vs tors. theta energy: -2.786 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: 5 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -38.759067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.759067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.759067 (E_RNA) where: Base-Base interactions energy: -17.084 where: short stacking energy: -13.827 Base-Backbone interact. energy: -0.033 local terms energy: -21.642200 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.135 flat angles C4'-P-C4' energy: -4.575 flat angles P-C4'-P energy: -1.397 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: 8, replica: 10 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -41.171725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.171725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.171725 (E_RNA) where: Base-Base interactions energy: -20.394 where: short stacking energy: -14.491 Base-Backbone interact. energy: -1.015 local terms energy: -19.762866 where: bonds (distance) C4'-P energy: -4.985 bonds (distance) P-C4' energy: -3.395 flat angles C4'-P-C4' energy: -4.887 flat angles P-C4'-P energy: -4.046 tors. eta vs tors. theta energy: -2.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -30.845490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.845490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.845490 (E_RNA) where: Base-Base interactions energy: -12.108 where: short stacking energy: -12.108 Base-Backbone interact. energy: -0.093 local terms energy: -18.643564 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -3.582 flat angles C4'-P-C4' energy: -4.095 flat angles P-C4'-P energy: -3.398 tors. eta vs tors. theta energy: -1.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -29.984559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.984559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.984559 (E_RNA) where: Base-Base interactions energy: -12.256 where: short stacking energy: -12.256 Base-Backbone interact. energy: -0.000 local terms energy: -17.728215 where: bonds (distance) C4'-P energy: -3.319 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -4.927 flat angles P-C4'-P energy: -1.151 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: 1, replica: 9 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -54.430131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.430131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.430131 (E_RNA) where: Base-Base interactions energy: -25.130 where: short stacking energy: -25.130 Base-Backbone interact. energy: -0.000 local terms energy: -29.299855 where: bonds (distance) C4'-P energy: -4.202 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.416 flat angles P-C4'-P energy: -4.674 tors. eta vs tors. theta energy: -7.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -45.435532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.435532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.435532 (E_RNA) where: Base-Base interactions energy: -20.857 where: short stacking energy: -20.857 Base-Backbone interact. energy: -0.000 local terms energy: -24.578313 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -3.935 flat angles P-C4'-P energy: -4.446 tors. eta vs tors. theta energy: -4.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -43.558195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.558195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.558195 (E_RNA) where: Base-Base interactions energy: -19.755 where: short stacking energy: -19.755 Base-Backbone interact. energy: -0.000 local terms energy: -23.802979 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.222 flat angles P-C4'-P energy: -3.378 tors. eta vs tors. theta energy: -4.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -40.450941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.450941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.450941 (E_RNA) where: Base-Base interactions energy: -17.748 where: short stacking energy: -17.748 Base-Backbone interact. energy: -0.000 local terms energy: -22.702862 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -5.638 flat angles P-C4'-P energy: -3.708 tors. eta vs tors. theta energy: -2.020 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: 6 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -40.536339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.536339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.536339 (E_RNA) where: Base-Base interactions energy: -16.857 where: short stacking energy: -16.857 Base-Backbone interact. energy: -0.000 local terms energy: -23.679311 where: bonds (distance) C4'-P energy: -4.508 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -5.222 flat angles P-C4'-P energy: -4.806 tors. eta vs tors. theta energy: -3.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -43.798275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.798275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.798275 (E_RNA) where: Base-Base interactions energy: -18.967 where: short stacking energy: -18.967 Base-Backbone interact. energy: -0.003 local terms energy: -24.828240 where: bonds (distance) C4'-P energy: -4.549 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -6.692 flat angles P-C4'-P energy: -4.042 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: 7, replica: 5 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -33.330155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.330155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.330155 (E_RNA) where: Base-Base interactions energy: -11.883 where: short stacking energy: -11.883 Base-Backbone interact. energy: -0.008 local terms energy: -21.439087 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -3.476 flat angles P-C4'-P energy: -3.542 tors. eta vs tors. theta energy: -1.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -38.720440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.720440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.720440 (E_RNA) where: Base-Base interactions energy: -17.326 where: short stacking energy: -11.979 Base-Backbone interact. energy: -0.016 local terms energy: -21.378066 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.933 flat angles P-C4'-P energy: -2.212 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: 9, replica: 7 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -34.025214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.025214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.025214 (E_RNA) where: Base-Base interactions energy: -14.786 where: short stacking energy: -14.786 Base-Backbone interact. energy: -0.001 local terms energy: -19.238834 where: bonds (distance) C4'-P energy: -4.727 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -3.761 flat angles P-C4'-P energy: -3.170 tors. eta vs tors. theta energy: -1.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -35.293438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.293438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.293438 (E_RNA) where: Base-Base interactions energy: -18.226 where: short stacking energy: -18.226 Base-Backbone interact. energy: -0.002 local terms energy: -17.065994 where: bonds (distance) C4'-P energy: -4.454 bonds (distance) P-C4' energy: -3.839 flat angles C4'-P-C4' energy: -2.771 flat angles P-C4'-P energy: -2.703 tors. eta vs tors. theta energy: -3.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -43.106858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.106858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.106858 (E_RNA) where: Base-Base interactions energy: -19.092 where: short stacking energy: -16.180 Base-Backbone interact. energy: -0.464 local terms energy: -23.551525 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -5.058 flat angles C4'-P-C4' energy: -4.165 flat angles P-C4'-P energy: -3.652 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: 2, replica: 4 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -47.183522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.183522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.183522 (E_RNA) where: Base-Base interactions energy: -21.115 where: short stacking energy: -21.115 Base-Backbone interact. energy: -0.000 local terms energy: -26.068422 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -4.141 flat angles C4'-P-C4' energy: -6.331 flat angles P-C4'-P energy: -4.227 tors. eta vs tors. theta energy: -4.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -41.099329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.099329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.099329 (E_RNA) where: Base-Base interactions energy: -18.921 where: short stacking energy: -12.361 Base-Backbone interact. energy: -0.070 local terms energy: -22.108782 where: bonds (distance) C4'-P energy: -6.362 bonds (distance) P-C4' energy: -5.442 flat angles C4'-P-C4' energy: -6.256 flat angles P-C4'-P energy: -2.490 tors. eta vs tors. theta energy: -1.559 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: 6 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -48.429953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.429953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.429953 (E_RNA) where: Base-Base interactions energy: -23.270 where: short stacking energy: -23.270 Base-Backbone interact. energy: -0.000 local terms energy: -25.159449 where: bonds (distance) C4'-P energy: -4.383 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -4.024 flat angles P-C4'-P energy: -3.587 tors. eta vs tors. theta energy: -6.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -39.240571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.240571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.240571 (E_RNA) where: Base-Base interactions energy: -16.193 where: short stacking energy: -16.193 Base-Backbone interact. energy: -0.004 local terms energy: -23.043268 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -2.388 flat angles P-C4'-P energy: -3.642 tors. eta vs tors. theta energy: -4.571 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: 6, replica: 5 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -36.088733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.088733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.088733 (E_RNA) where: Base-Base interactions energy: -15.205 where: short stacking energy: -12.123 Base-Backbone interact. energy: -0.072 local terms energy: -20.811589 where: bonds (distance) C4'-P energy: -4.983 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -4.916 flat angles P-C4'-P energy: -1.815 tors. eta vs tors. theta energy: -3.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -34.658564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.658564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.658564 (E_RNA) where: Base-Base interactions energy: -11.350 where: short stacking energy: -10.796 Base-Backbone interact. energy: -0.065 local terms energy: -23.243725 where: bonds (distance) C4'-P energy: -5.117 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -5.538 flat angles P-C4'-P energy: -3.131 tors. eta vs tors. theta energy: -3.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -33.340866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.340866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.340866 (E_RNA) where: Base-Base interactions energy: -14.888 where: short stacking energy: -5.130 Base-Backbone interact. energy: -0.047 local terms energy: -18.406206 where: bonds (distance) C4'-P energy: -4.743 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -4.546 flat angles P-C4'-P energy: -4.189 tors. eta vs tors. theta energy: 1.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -38.021066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.021066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.021066 (E_RNA) where: Base-Base interactions energy: -14.586 where: short stacking energy: -14.586 Base-Backbone interact. energy: -0.000 local terms energy: -23.434736 where: bonds (distance) C4'-P energy: -4.570 bonds (distance) P-C4' energy: -5.889 flat angles C4'-P-C4' energy: -4.094 flat angles P-C4'-P energy: -4.155 tors. eta vs tors. theta energy: -4.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -33.980891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.980891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.980891 (E_RNA) where: Base-Base interactions energy: -11.752 where: short stacking energy: -11.237 Base-Backbone interact. energy: -1.115 local terms energy: -21.113742 where: bonds (distance) C4'-P energy: -4.508 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -3.791 flat angles P-C4'-P energy: -1.237 tors. eta vs tors. theta energy: -4.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -45.144033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.144033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.144033 (E_RNA) where: Base-Base interactions energy: -20.028 where: short stacking energy: -20.028 Base-Backbone interact. energy: -0.005 local terms energy: -25.111459 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -6.129 flat angles C4'-P-C4' energy: -5.671 flat angles P-C4'-P energy: -5.118 tors. eta vs tors. theta energy: -3.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -52.702714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.702714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.702714 (E_RNA) where: Base-Base interactions energy: -29.003 where: short stacking energy: -17.844 Base-Backbone interact. energy: -0.006 local terms energy: -23.693705 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -5.234 flat angles P-C4'-P energy: -4.984 tors. eta vs tors. theta energy: -3.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -47.101243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.101243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.101243 (E_RNA) where: Base-Base interactions energy: -23.461 where: short stacking energy: -23.461 Base-Backbone interact. energy: -0.000 local terms energy: -23.640111 where: bonds (distance) C4'-P energy: -4.380 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -4.938 flat angles P-C4'-P energy: -3.853 tors. eta vs tors. theta energy: -4.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -45.387107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.387107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.387107 (E_RNA) where: Base-Base interactions energy: -19.522 where: short stacking energy: -17.560 Base-Backbone interact. energy: -0.000 local terms energy: -25.864707 where: bonds (distance) C4'-P energy: -4.993 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -5.463 flat angles P-C4'-P energy: -4.463 tors. eta vs tors. theta energy: -5.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -38.770265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.770265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.770265 (E_RNA) where: Base-Base interactions energy: -14.767 where: short stacking energy: -14.447 Base-Backbone interact. energy: -0.027 local terms energy: -23.975816 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -4.980 flat angles P-C4'-P energy: -3.236 tors. eta vs tors. theta energy: -5.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -35.041087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.041087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.041087 (E_RNA) where: Base-Base interactions energy: -13.017 where: short stacking energy: -13.017 Base-Backbone interact. energy: -0.001 local terms energy: -22.023366 where: bonds (distance) C4'-P energy: -3.266 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.691 flat angles P-C4'-P energy: -4.075 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: 7, replica: 7 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -40.614382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.614382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.614382 (E_RNA) where: Base-Base interactions energy: -19.136 where: short stacking energy: -19.136 Base-Backbone interact. energy: -0.000 local terms energy: -21.478193 where: bonds (distance) C4'-P energy: -4.060 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -2.452 flat angles P-C4'-P energy: -3.733 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: 8, replica: 2 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -41.001212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.001212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.001212 (E_RNA) where: Base-Base interactions energy: -19.117 where: short stacking energy: -18.071 Base-Backbone interact. energy: -0.554 local terms energy: -21.330169 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -3.055 flat angles P-C4'-P energy: -3.878 tors. eta vs tors. theta energy: -2.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -33.926693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.926693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.926693 (E_RNA) where: Base-Base interactions energy: -14.884 where: short stacking energy: -14.884 Base-Backbone interact. energy: -0.000 local terms energy: -19.043097 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.483 flat angles P-C4'-P energy: 0.136 tors. eta vs tors. theta energy: -2.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -35.357777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.357777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.357777 (E_RNA) where: Base-Base interactions energy: -10.484 where: short stacking energy: -10.484 Base-Backbone interact. energy: -0.013 local terms energy: -24.860497 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.380 flat angles P-C4'-P energy: -5.648 tors. eta vs tors. theta energy: -1.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -45.359283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.359283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.359283 (E_RNA) where: Base-Base interactions energy: -17.813 where: short stacking energy: -17.813 Base-Backbone interact. energy: -0.391 local terms energy: -27.154917 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -6.361 flat angles C4'-P-C4' energy: -5.194 flat angles P-C4'-P energy: -2.851 tors. eta vs tors. theta energy: -6.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -48.657737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.657737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.657737 (E_RNA) where: Base-Base interactions energy: -21.766 where: short stacking energy: -21.766 Base-Backbone interact. energy: -0.000 local terms energy: -26.891383 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.138 flat angles P-C4'-P energy: -3.442 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: 3, replica: 9 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -49.017390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.017390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.017390 (E_RNA) where: Base-Base interactions energy: -21.446 where: short stacking energy: -21.446 Base-Backbone interact. energy: -0.000 local terms energy: -27.571409 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -6.172 flat angles P-C4'-P energy: -4.284 tors. eta vs tors. theta energy: -5.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -50.127655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.127655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.127655 (E_RNA) where: Base-Base interactions energy: -23.145 where: short stacking energy: -23.145 Base-Backbone interact. energy: -0.000 local terms energy: -26.982800 where: bonds (distance) C4'-P energy: -4.691 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -6.069 flat angles P-C4'-P energy: -3.619 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: 5, replica: 3 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -37.138119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.138119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.138119 (E_RNA) where: Base-Base interactions energy: -12.454 where: short stacking energy: -12.454 Base-Backbone interact. energy: -0.155 local terms energy: -24.529278 where: bonds (distance) C4'-P energy: -4.288 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -6.073 flat angles P-C4'-P energy: -3.603 tors. eta vs tors. theta energy: -3.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -39.639591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.639591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.639591 (E_RNA) where: Base-Base interactions energy: -16.520 where: short stacking energy: -16.520 Base-Backbone interact. energy: -0.000 local terms energy: -23.119209 where: bonds (distance) C4'-P energy: -5.117 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -5.737 flat angles P-C4'-P energy: -0.958 tors. eta vs tors. theta energy: -4.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -37.471414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.471414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.471414 (E_RNA) where: Base-Base interactions energy: -14.985 where: short stacking energy: -14.985 Base-Backbone interact. energy: -0.001 local terms energy: -22.485432 where: bonds (distance) C4'-P energy: -5.179 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.604 flat angles P-C4'-P energy: -1.905 tors. eta vs tors. theta energy: -2.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -41.558309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.558309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.558309 (E_RNA) where: Base-Base interactions energy: -16.449 where: short stacking energy: -16.449 Base-Backbone interact. energy: -0.083 local terms energy: -25.026781 where: bonds (distance) C4'-P energy: -2.997 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.587 flat angles P-C4'-P energy: -5.410 tors. eta vs tors. theta energy: -3.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -33.048086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.048086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.048086 (E_RNA) where: Base-Base interactions energy: -13.667 where: short stacking energy: -11.411 Base-Backbone interact. energy: -0.009 local terms energy: -19.372640 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.266 flat angles P-C4'-P energy: -2.602 tors. eta vs tors. theta energy: -0.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -34.857736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.857736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.857736 (E_RNA) where: Base-Base interactions energy: -14.008 where: short stacking energy: -14.008 Base-Backbone interact. energy: -0.063 local terms energy: -20.787539 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -4.230 flat angles P-C4'-P energy: -4.942 tors. eta vs tors. theta energy: -0.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -58.254527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.254527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.254527 (E_RNA) where: Base-Base interactions energy: -34.415 where: short stacking energy: -19.817 Base-Backbone interact. energy: -0.002 local terms energy: -23.837713 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -4.886 flat angles C4'-P-C4' energy: -5.733 flat angles P-C4'-P energy: -3.390 tors. eta vs tors. theta energy: -4.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -47.821447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.821447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.821447 (E_RNA) where: Base-Base interactions energy: -21.722 where: short stacking energy: -21.722 Base-Backbone interact. energy: -0.000 local terms energy: -26.099178 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -2.374 flat angles P-C4'-P energy: -4.759 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: 3, replica: 1 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -45.716193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.716193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.716193 (E_RNA) where: Base-Base interactions energy: -20.393 where: short stacking energy: -20.393 Base-Backbone interact. energy: -0.000 local terms energy: -25.323503 where: bonds (distance) C4'-P energy: -3.808 bonds (distance) P-C4' energy: -4.684 flat angles C4'-P-C4' energy: -6.036 flat angles P-C4'-P energy: -4.426 tors. eta vs tors. theta energy: -6.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -39.425559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.425559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.425559 (E_RNA) where: Base-Base interactions energy: -20.098 where: short stacking energy: -18.040 Base-Backbone interact. energy: -0.035 local terms energy: -19.293187 where: bonds (distance) C4'-P energy: -3.282 bonds (distance) P-C4' energy: -5.128 flat angles C4'-P-C4' energy: -3.134 flat angles P-C4'-P energy: -3.347 tors. eta vs tors. theta energy: -4.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -36.691757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.691757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.691757 (E_RNA) where: Base-Base interactions energy: -13.612 where: short stacking energy: -6.974 Base-Backbone interact. energy: -0.441 local terms energy: -22.638357 where: bonds (distance) C4'-P energy: -5.099 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.053 flat angles P-C4'-P energy: -3.900 tors. eta vs tors. theta energy: -2.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -34.653210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.653210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.653210 (E_RNA) where: Base-Base interactions energy: -11.895 where: short stacking energy: -9.145 Base-Backbone interact. energy: -0.035 local terms energy: -22.722957 where: bonds (distance) C4'-P energy: -5.394 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -5.923 flat angles P-C4'-P energy: -4.421 tors. eta vs tors. theta energy: -1.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -37.805239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.805239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.805239 (E_RNA) where: Base-Base interactions energy: -16.616 where: short stacking energy: -16.616 Base-Backbone interact. energy: -0.018 local terms energy: -21.171288 where: bonds (distance) C4'-P energy: -4.570 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.990 flat angles P-C4'-P energy: -2.362 tors. eta vs tors. theta energy: -2.115 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: 5 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -39.838046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.838046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.838046 (E_RNA) where: Base-Base interactions energy: -16.621 where: short stacking energy: -16.621 Base-Backbone interact. energy: -0.000 local terms energy: -23.216811 where: bonds (distance) C4'-P energy: -4.797 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.804 flat angles P-C4'-P energy: -3.270 tors. eta vs tors. theta energy: -3.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -34.552383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.552383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.552383 (E_RNA) where: Base-Base interactions energy: -9.979 where: short stacking energy: -9.979 Base-Backbone interact. energy: -0.029 local terms energy: -24.544206 where: bonds (distance) C4'-P energy: -3.597 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.313 flat angles P-C4'-P energy: -3.725 tors. eta vs tors. theta energy: -4.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -37.435002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.435002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.435002 (E_RNA) where: Base-Base interactions energy: -12.952 where: short stacking energy: -12.952 Base-Backbone interact. energy: -0.030 local terms energy: -24.452743 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.307 flat angles P-C4'-P energy: -4.399 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: 4 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -44.252620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.252620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.252620 (E_RNA) where: Base-Base interactions energy: -17.897 where: short stacking energy: -13.349 Base-Backbone interact. energy: -0.002 local terms energy: -26.353544 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.351 flat angles C4'-P-C4' energy: -5.991 flat angles P-C4'-P energy: -5.232 tors. eta vs tors. theta energy: -2.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -54.140111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.140111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.140111 (E_RNA) where: Base-Base interactions energy: -25.176 where: short stacking energy: -25.176 Base-Backbone interact. energy: -0.000 local terms energy: -28.964564 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -5.031 flat angles P-C4'-P energy: -4.917 tors. eta vs tors. theta energy: -7.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -43.830536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.830536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.830536 (E_RNA) where: Base-Base interactions energy: -24.552 where: short stacking energy: -9.999 Base-Backbone interact. energy: -0.057 local terms energy: -19.221179 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -5.970 flat angles C4'-P-C4' energy: -3.896 flat angles P-C4'-P energy: -3.931 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: 4, replica: 7 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -47.857660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.857660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.857660 (E_RNA) where: Base-Base interactions energy: -22.241 where: short stacking energy: -22.241 Base-Backbone interact. energy: -0.000 local terms energy: -25.616896 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -3.994 flat angles C4'-P-C4' energy: -5.697 flat angles P-C4'-P energy: -5.629 tors. eta vs tors. theta energy: -4.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -41.936933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.936933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.936933 (E_RNA) where: Base-Base interactions energy: -21.058 where: short stacking energy: -21.058 Base-Backbone interact. energy: -0.000 local terms energy: -20.878311 where: bonds (distance) C4'-P energy: -3.506 bonds (distance) P-C4' energy: -5.413 flat angles C4'-P-C4' energy: -5.020 flat angles P-C4'-P energy: -2.102 tors. eta vs tors. theta energy: -4.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -36.328042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.328042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.328042 (E_RNA) where: Base-Base interactions energy: -13.456 where: short stacking energy: -13.456 Base-Backbone interact. energy: -0.003 local terms energy: -22.869196 where: bonds (distance) C4'-P energy: -2.818 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.475 flat angles P-C4'-P energy: -5.230 tors. eta vs tors. theta energy: -2.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -35.589961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.589961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.589961 (E_RNA) where: Base-Base interactions energy: -12.955 where: short stacking energy: -12.955 Base-Backbone interact. energy: -0.011 local terms energy: -22.623119 where: bonds (distance) C4'-P energy: -4.284 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -5.456 flat angles P-C4'-P energy: -3.324 tors. eta vs tors. theta energy: -2.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -42.182037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.182037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.182037 (E_RNA) where: Base-Base interactions energy: -18.488 where: short stacking energy: -18.488 Base-Backbone interact. energy: -0.000 local terms energy: -23.693821 where: bonds (distance) C4'-P energy: -4.549 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.618 flat angles P-C4'-P energy: -3.078 tors. eta vs tors. theta energy: -3.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -39.757308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.757308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.757308 (E_RNA) where: Base-Base interactions energy: -16.981 where: short stacking energy: -16.981 Base-Backbone interact. energy: -0.007 local terms energy: -22.770051 where: bonds (distance) C4'-P energy: -3.030 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -6.311 flat angles P-C4'-P energy: -3.571 tors. eta vs tors. theta energy: -4.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -33.620830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.620830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.620830 (E_RNA) where: Base-Base interactions energy: -12.781 where: short stacking energy: -12.781 Base-Backbone interact. energy: -0.004 local terms energy: -20.836303 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -5.512 flat angles P-C4'-P energy: -3.075 tors. eta vs tors. theta energy: -1.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -57.132307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.132307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.132307 (E_RNA) where: Base-Base interactions energy: -25.483 where: short stacking energy: -25.483 Base-Backbone interact. energy: -0.000 local terms energy: -31.649343 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.442 flat angles P-C4'-P energy: -5.494 tors. eta vs tors. theta energy: -7.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -40.447892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.447892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.447892 (E_RNA) where: Base-Base interactions energy: -15.473 where: short stacking energy: -15.473 Base-Backbone interact. energy: -0.000 local terms energy: -24.974417 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -5.861 flat angles C4'-P-C4' energy: -5.529 flat angles P-C4'-P energy: -4.933 tors. eta vs tors. theta energy: -2.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -40.965867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.965867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.965867 (E_RNA) where: Base-Base interactions energy: -16.756 where: short stacking energy: -16.756 Base-Backbone interact. energy: -0.002 local terms energy: -24.208000 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -5.315 flat angles C4'-P-C4' energy: -6.107 flat angles P-C4'-P energy: -4.438 tors. eta vs tors. theta energy: -3.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -42.760681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.760681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.760681 (E_RNA) where: Base-Base interactions energy: -17.898 where: short stacking energy: -17.898 Base-Backbone interact. energy: -0.001 local terms energy: -24.861633 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.884 flat angles P-C4'-P energy: -2.871 tors. eta vs tors. theta energy: -3.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -37.737460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.737460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.737460 (E_RNA) where: Base-Base interactions energy: -14.177 where: short stacking energy: -14.177 Base-Backbone interact. energy: -0.002 local terms energy: -23.558531 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.830 flat angles P-C4'-P energy: -3.995 tors. eta vs tors. theta energy: -1.416 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: 9 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -38.813114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.813114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.813114 (E_RNA) where: Base-Base interactions energy: -15.438 where: short stacking energy: -15.438 Base-Backbone interact. energy: -0.000 local terms energy: -23.374422 where: bonds (distance) C4'-P energy: -4.223 bonds (distance) P-C4' energy: -5.576 flat angles C4'-P-C4' energy: -6.272 flat angles P-C4'-P energy: -2.401 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: 7, replica: 10 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -37.168732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.168732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.168732 (E_RNA) where: Base-Base interactions energy: -16.782 where: short stacking energy: -9.590 Base-Backbone interact. energy: -0.088 local terms energy: -20.298717 where: bonds (distance) C4'-P energy: -4.523 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -4.948 flat angles P-C4'-P energy: -3.935 tors. eta vs tors. theta energy: -0.932 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: 8, replica: 3 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -34.138565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.138565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.138565 (E_RNA) where: Base-Base interactions energy: -12.202 where: short stacking energy: -9.399 Base-Backbone interact. energy: -0.103 local terms energy: -21.833948 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -4.227 flat angles C4'-P-C4' energy: -5.710 flat angles P-C4'-P energy: -3.225 tors. eta vs tors. theta energy: -3.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -33.028095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.028095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.028095 (E_RNA) where: Base-Base interactions energy: -10.111 where: short stacking energy: -10.111 Base-Backbone interact. energy: -0.000 local terms energy: -22.916775 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -5.438 flat angles C4'-P-C4' energy: -3.983 flat angles P-C4'-P energy: -3.702 tors. eta vs tors. theta energy: -4.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -33.263751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.263751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.263751 (E_RNA) where: Base-Base interactions energy: -12.339 where: short stacking energy: -12.339 Base-Backbone interact. energy: -0.000 local terms energy: -20.925175 where: bonds (distance) C4'-P energy: -2.554 bonds (distance) P-C4' energy: -3.131 flat angles C4'-P-C4' energy: -4.448 flat angles P-C4'-P energy: -3.608 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: 1, replica: 4 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -46.803581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.803581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.803581 (E_RNA) where: Base-Base interactions energy: -18.904 where: short stacking energy: -18.904 Base-Backbone interact. energy: -0.000 local terms energy: -27.899063 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.869 flat angles P-C4'-P energy: -5.352 tors. eta vs tors. theta energy: -4.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -44.306880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.306880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.306880 (E_RNA) where: Base-Base interactions energy: -19.052 where: short stacking energy: -19.052 Base-Backbone interact. energy: -0.000 local terms energy: -25.255046 where: bonds (distance) C4'-P energy: -4.276 bonds (distance) P-C4' energy: -4.994 flat angles C4'-P-C4' energy: -4.817 flat angles P-C4'-P energy: -5.089 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: 3, replica: 6 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -40.611817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.611817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.611817 (E_RNA) where: Base-Base interactions energy: -16.747 where: short stacking energy: -16.747 Base-Backbone interact. energy: 0.534 local terms energy: -24.398380 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -5.400 flat angles P-C4'-P energy: -5.339 tors. eta vs tors. theta energy: -2.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -51.957619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.957619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.957619 (E_RNA) where: Base-Base interactions energy: -24.523 where: short stacking energy: -24.523 Base-Backbone interact. energy: -0.000 local terms energy: -27.434493 where: bonds (distance) C4'-P energy: -3.921 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -6.578 flat angles P-C4'-P energy: -4.644 tors. eta vs tors. theta energy: -6.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -42.188076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.188076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.188076 (E_RNA) where: Base-Base interactions energy: -18.087 where: short stacking energy: -18.087 Base-Backbone interact. energy: -0.000 local terms energy: -24.101283 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -4.555 flat angles P-C4'-P energy: -1.604 tors. eta vs tors. theta energy: -5.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -41.343132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.343132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.343132 (E_RNA) where: Base-Base interactions energy: -18.841 where: short stacking energy: -18.841 Base-Backbone interact. energy: -0.001 local terms energy: -22.500851 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.622 flat angles P-C4'-P energy: -0.289 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: 7, replica: 9 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -37.427998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.427998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.427998 (E_RNA) where: Base-Base interactions energy: -17.773 where: short stacking energy: -10.830 Base-Backbone interact. energy: -0.106 local terms energy: -19.549622 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.321 flat angles P-C4'-P energy: -0.517 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: 8, replica: 2 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -37.594861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.594861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.594861 (E_RNA) where: Base-Base interactions energy: -16.886 where: short stacking energy: -16.886 Base-Backbone interact. energy: -0.099 local terms energy: -20.609806 where: bonds (distance) C4'-P energy: -2.107 bonds (distance) P-C4' energy: -5.211 flat angles C4'-P-C4' energy: -4.575 flat angles P-C4'-P energy: -5.068 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: 9, replica: 3 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -40.658280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.658280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.658280 (E_RNA) where: Base-Base interactions energy: -21.037 where: short stacking energy: -21.037 Base-Backbone interact. energy: -0.000 local terms energy: -19.620763 where: bonds (distance) C4'-P energy: -5.099 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -0.706 flat angles P-C4'-P energy: -4.293 tors. eta vs tors. theta energy: -3.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -32.081004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.081004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.081004 (E_RNA) where: Base-Base interactions energy: -11.493 where: short stacking energy: -11.493 Base-Backbone interact. energy: -0.074 local terms energy: -20.514157 where: bonds (distance) C4'-P energy: -2.446 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.417 flat angles P-C4'-P energy: -3.719 tors. eta vs tors. theta energy: -3.631 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: 1, replica: 1 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -49.652394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.652394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.652394 (E_RNA) where: Base-Base interactions energy: -20.702 where: short stacking energy: -18.177 Base-Backbone interact. energy: -0.000 local terms energy: -28.949902 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.053 flat angles P-C4'-P energy: -3.212 tors. eta vs tors. theta energy: -6.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -45.753940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.753940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.753940 (E_RNA) where: Base-Base interactions energy: -19.843 where: short stacking energy: -19.843 Base-Backbone interact. energy: -0.002 local terms energy: -25.909007 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -4.916 flat angles P-C4'-P energy: -4.225 tors. eta vs tors. theta energy: -5.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -44.772196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.772196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.772196 (E_RNA) where: Base-Base interactions energy: -22.980 where: short stacking energy: -22.980 Base-Backbone interact. energy: -0.000 local terms energy: -21.791942 where: bonds (distance) C4'-P energy: -3.369 bonds (distance) P-C4' energy: -4.199 flat angles C4'-P-C4' energy: -5.447 flat angles P-C4'-P energy: -2.806 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: 4, replica: 6 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -43.231082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.231082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.231082 (E_RNA) where: Base-Base interactions energy: -18.166 where: short stacking energy: -18.166 Base-Backbone interact. energy: -0.000 local terms energy: -25.064814 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -6.150 flat angles P-C4'-P energy: -2.850 tors. eta vs tors. theta energy: -4.834 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: 202 Temperature: 1.100000 Total energy: -43.496891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.496891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.496891 (E_RNA) where: Base-Base interactions energy: -18.092 where: short stacking energy: -18.092 Base-Backbone interact. energy: -0.001 local terms energy: -25.404380 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.417 flat angles C4'-P-C4' energy: -5.937 flat angles P-C4'-P energy: -5.282 tors. eta vs tors. theta energy: -3.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -41.757673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.757673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.757673 (E_RNA) where: Base-Base interactions energy: -23.209 where: short stacking energy: -12.450 Base-Backbone interact. energy: -0.076 local terms energy: -18.472574 where: bonds (distance) C4'-P energy: -4.869 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -4.143 flat angles P-C4'-P energy: -3.096 tors. eta vs tors. theta energy: -0.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -39.188378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.188378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.188378 (E_RNA) where: Base-Base interactions energy: -14.901 where: short stacking energy: -10.180 Base-Backbone interact. energy: -0.001 local terms energy: -24.286222 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.803 flat angles P-C4'-P energy: -4.341 tors. eta vs tors. theta energy: -2.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -45.355566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.355566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.355566 (E_RNA) where: Base-Base interactions energy: -19.772 where: short stacking energy: -19.772 Base-Backbone interact. energy: -0.003 local terms energy: -25.580598 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -5.279 flat angles C4'-P-C4' energy: -5.091 flat angles P-C4'-P energy: -3.514 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: 9, replica: 5 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -35.380624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.380624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.380624 (E_RNA) where: Base-Base interactions energy: -14.557 where: short stacking energy: -10.449 Base-Backbone interact. energy: -0.005 local terms energy: -20.818901 where: bonds (distance) C4'-P energy: -3.237 bonds (distance) P-C4' energy: -5.889 flat angles C4'-P-C4' energy: -3.805 flat angles P-C4'-P energy: -4.957 tors. eta vs tors. theta energy: -2.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -39.571424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.571424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.571424 (E_RNA) where: Base-Base interactions energy: -15.350 where: short stacking energy: -15.350 Base-Backbone interact. energy: -0.000 local terms energy: -24.221127 where: bonds (distance) C4'-P energy: -3.833 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -3.838 flat angles P-C4'-P energy: -4.794 tors. eta vs tors. theta energy: -5.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -46.824919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.824919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.824919 (E_RNA) where: Base-Base interactions energy: -23.276 where: short stacking energy: -19.331 Base-Backbone interact. energy: -0.076 local terms energy: -23.472923 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -6.420 flat angles C4'-P-C4' energy: -4.802 flat angles P-C4'-P energy: -3.408 tors. eta vs tors. theta energy: -3.262 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: 8 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -41.007181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.007181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.007181 (E_RNA) where: Base-Base interactions energy: -16.011 where: short stacking energy: -16.011 Base-Backbone interact. energy: -0.000 local terms energy: -24.995224 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.574 flat angles P-C4'-P energy: -4.859 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: 3, replica: 4 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -48.406904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.406904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.406904 (E_RNA) where: Base-Base interactions energy: -23.082 where: short stacking energy: -23.082 Base-Backbone interact. energy: -0.001 local terms energy: -25.323735 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -5.273 flat angles C4'-P-C4' energy: -5.708 flat angles P-C4'-P energy: -3.461 tors. eta vs tors. theta energy: -4.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -42.467888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.467888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.467888 (E_RNA) where: Base-Base interactions energy: -18.496 where: short stacking energy: -18.496 Base-Backbone interact. energy: -0.000 local terms energy: -23.972261 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -3.371 flat angles P-C4'-P energy: -3.429 tors. eta vs tors. theta energy: -5.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -39.159909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.159909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.159909 (E_RNA) where: Base-Base interactions energy: -19.637 where: short stacking energy: -19.637 Base-Backbone interact. energy: -0.000 local terms energy: -19.522182 where: bonds (distance) C4'-P energy: -4.747 bonds (distance) P-C4' energy: -5.864 flat angles C4'-P-C4' energy: -3.671 flat angles P-C4'-P energy: -3.779 tors. eta vs tors. theta energy: -1.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -39.930592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.930592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.930592 (E_RNA) where: Base-Base interactions energy: -17.238 where: short stacking energy: -17.238 Base-Backbone interact. energy: -0.000 local terms energy: -22.692372 where: bonds (distance) C4'-P energy: -3.816 bonds (distance) P-C4' energy: -5.346 flat angles C4'-P-C4' energy: -4.599 flat angles P-C4'-P energy: -4.182 tors. eta vs tors. theta energy: -4.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -39.308960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.308960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.308960 (E_RNA) where: Base-Base interactions energy: -14.202 where: short stacking energy: -14.202 Base-Backbone interact. energy: -0.000 local terms energy: -25.107327 where: bonds (distance) C4'-P energy: -4.508 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.328 flat angles P-C4'-P energy: -3.768 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: 8, replica: 5 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -37.522261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.522261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.522261 (E_RNA) where: Base-Base interactions energy: -15.090 where: short stacking energy: -15.090 Base-Backbone interact. energy: -0.000 local terms energy: -22.431450 where: bonds (distance) C4'-P energy: -3.581 bonds (distance) P-C4' energy: -4.807 flat angles C4'-P-C4' energy: -6.446 flat angles P-C4'-P energy: -4.597 tors. eta vs tors. theta energy: -3.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -36.058593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.058593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.058593 (E_RNA) where: Base-Base interactions energy: -13.923 where: short stacking energy: -13.923 Base-Backbone interact. energy: -0.001 local terms energy: -22.135103 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -3.631 flat angles P-C4'-P energy: -3.966 tors. eta vs tors. theta energy: -2.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -34.809603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.809603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.809603 (E_RNA) where: Base-Base interactions energy: -14.284 where: short stacking energy: -12.517 Base-Backbone interact. energy: -0.096 local terms energy: -20.429071 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -5.780 flat angles P-C4'-P energy: -0.033 tors. eta vs tors. theta energy: -3.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -42.232222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.232222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.232222 (E_RNA) where: Base-Base interactions energy: -17.943 where: short stacking energy: -14.524 Base-Backbone interact. energy: 0.284 local terms energy: -24.572914 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -5.421 flat angles P-C4'-P energy: -4.124 tors. eta vs tors. theta energy: -2.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -50.109970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.109970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.109970 (E_RNA) where: Base-Base interactions energy: -21.327 where: short stacking energy: -21.327 Base-Backbone interact. energy: -0.000 local terms energy: -28.782995 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -5.501 flat angles P-C4'-P energy: -4.225 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: 3, replica: 10 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -50.032567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.032567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.032567 (E_RNA) where: Base-Base interactions energy: -23.189 where: short stacking energy: -23.189 Base-Backbone interact. energy: -0.000 local terms energy: -26.843280 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -4.649 flat angles P-C4'-P energy: -4.531 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: 4, replica: 4 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -38.730195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.730195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.730195 (E_RNA) where: Base-Base interactions energy: -15.766 where: short stacking energy: -15.766 Base-Backbone interact. energy: -0.000 local terms energy: -22.963732 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -4.511 flat angles P-C4'-P energy: -4.713 tors. eta vs tors. theta energy: -2.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -40.352563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.352563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.352563 (E_RNA) where: Base-Base interactions energy: -17.121 where: short stacking energy: -17.121 Base-Backbone interact. energy: -0.000 local terms energy: -23.231705 where: bonds (distance) C4'-P energy: -4.872 bonds (distance) P-C4' energy: -5.368 flat angles C4'-P-C4' energy: -2.765 flat angles P-C4'-P energy: -3.504 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: 6, replica: 6 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -37.826532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.826532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.826532 (E_RNA) where: Base-Base interactions energy: -14.419 where: short stacking energy: -14.419 Base-Backbone interact. energy: -0.001 local terms energy: -23.405932 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -3.448 flat angles P-C4'-P energy: -5.297 tors. eta vs tors. theta energy: -1.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -40.468836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.468836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.468836 (E_RNA) where: Base-Base interactions energy: -16.482 where: short stacking energy: -12.970 Base-Backbone interact. energy: -0.002 local terms energy: -23.985116 where: bonds (distance) C4'-P energy: -4.872 bonds (distance) P-C4' energy: -6.131 flat angles C4'-P-C4' energy: -5.307 flat angles P-C4'-P energy: -3.009 tors. eta vs tors. theta energy: -4.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -37.303481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.303481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.303481 (E_RNA) where: Base-Base interactions energy: -18.194 where: short stacking energy: -18.194 Base-Backbone interact. energy: -0.000 local terms energy: -19.109111 where: bonds (distance) C4'-P energy: -3.555 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.467 flat angles P-C4'-P energy: -0.606 tors. eta vs tors. theta energy: -3.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -34.867068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.867068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.867068 (E_RNA) where: Base-Base interactions energy: -13.346 where: short stacking energy: -13.346 Base-Backbone interact. energy: -0.000 local terms energy: -21.521175 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -3.670 flat angles P-C4'-P energy: -3.805 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: 10, replica: 9 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -35.728511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.728511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.728511 (E_RNA) where: Base-Base interactions energy: -16.536 where: short stacking energy: -11.667 Base-Backbone interact. energy: -0.002 local terms energy: -19.189947 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -3.617 flat angles C4'-P-C4' energy: -6.174 flat angles P-C4'-P energy: -2.094 tors. eta vs tors. theta energy: -1.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -48.585404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.585404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.585404 (E_RNA) where: Base-Base interactions energy: -26.761 where: short stacking energy: -22.772 Base-Backbone interact. energy: -0.000 local terms energy: -21.824603 where: bonds (distance) C4'-P energy: -4.020 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.423 flat angles P-C4'-P energy: -3.152 tors. eta vs tors. theta energy: -3.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -41.862181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.862181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.862181 (E_RNA) where: Base-Base interactions energy: -17.634 where: short stacking energy: -17.634 Base-Backbone interact. energy: -0.000 local terms energy: -24.227961 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -4.659 flat angles P-C4'-P energy: -4.854 tors. eta vs tors. theta energy: -2.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -47.173256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.173256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.173256 (E_RNA) where: Base-Base interactions energy: -23.088 where: short stacking energy: -23.088 Base-Backbone interact. energy: -0.000 local terms energy: -24.085469 where: bonds (distance) C4'-P energy: -3.606 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -5.332 flat angles P-C4'-P energy: -3.884 tors. eta vs tors. theta energy: -5.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -43.167532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.167532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.167532 (E_RNA) where: Base-Base interactions energy: -16.560 where: short stacking energy: -16.447 Base-Backbone interact. energy: -0.046 local terms energy: -26.560875 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.313 flat angles P-C4'-P energy: -2.488 tors. eta vs tors. theta energy: -4.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -40.956826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.956826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.956826 (E_RNA) where: Base-Base interactions energy: -18.710 where: short stacking energy: -2.960 Base-Backbone interact. energy: -0.034 local terms energy: -22.213128 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -6.393 flat angles P-C4'-P energy: -2.219 tors. eta vs tors. theta energy: -1.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -39.217203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.217203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.217203 (E_RNA) where: Base-Base interactions energy: -15.274 where: short stacking energy: -10.476 Base-Backbone interact. energy: -0.094 local terms energy: -23.848742 where: bonds (distance) C4'-P energy: -3.929 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.098 flat angles P-C4'-P energy: -4.532 tors. eta vs tors. theta energy: -2.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -37.806062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.806062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.806062 (E_RNA) where: Base-Base interactions energy: -12.969 where: short stacking energy: -12.969 Base-Backbone interact. energy: -0.000 local terms energy: -24.837433 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -5.864 flat angles C4'-P-C4' energy: -4.092 flat angles P-C4'-P energy: -4.720 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: 8, replica: 7 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -40.322368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.322368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.322368 (E_RNA) where: Base-Base interactions energy: -17.449 where: short stacking energy: -17.449 Base-Backbone interact. energy: -0.000 local terms energy: -22.872688 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -5.388 flat angles P-C4'-P energy: -1.101 tors. eta vs tors. theta energy: -5.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -45.191659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.191659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.191659 (E_RNA) where: Base-Base interactions energy: -22.286 where: short stacking energy: -22.286 Base-Backbone interact. energy: -0.000 local terms energy: -22.905545 where: bonds (distance) C4'-P energy: -3.477 bonds (distance) P-C4' energy: -5.309 flat angles C4'-P-C4' energy: -3.091 flat angles P-C4'-P energy: -5.089 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: 10, replica: 9 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -36.946192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.946192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.946192 (E_RNA) where: Base-Base interactions energy: -17.164 where: short stacking energy: -13.281 Base-Backbone interact. energy: -0.117 local terms energy: -19.665380 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -3.597 flat angles P-C4'-P energy: -2.623 tors. eta vs tors. theta energy: -0.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -45.130152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.130152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.130152 (E_RNA) where: Base-Base interactions energy: -22.332 where: short stacking energy: -22.332 Base-Backbone interact. energy: -0.028 local terms energy: -22.769700 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.688 flat angles P-C4'-P energy: -1.492 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: 2, replica: 8 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -42.358407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.358407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.358407 (E_RNA) where: Base-Base interactions energy: -19.572 where: short stacking energy: -19.572 Base-Backbone interact. energy: -0.059 local terms energy: -22.726858 where: bonds (distance) C4'-P energy: -4.380 bonds (distance) P-C4' energy: -4.300 flat angles C4'-P-C4' energy: -6.405 flat angles P-C4'-P energy: -3.057 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: 3, replica: 2 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -51.455866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.455866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.455866 (E_RNA) where: Base-Base interactions energy: -25.515 where: short stacking energy: -19.367 Base-Backbone interact. energy: -0.202 local terms energy: -25.738831 where: bonds (distance) C4'-P energy: -4.425 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.521 flat angles P-C4'-P energy: -3.691 tors. eta vs tors. theta energy: -5.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -37.436507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.436507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.436507 (E_RNA) where: Base-Base interactions energy: -16.103 where: short stacking energy: -16.103 Base-Backbone interact. energy: -0.025 local terms energy: -21.308345 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -5.150 flat angles C4'-P-C4' energy: -6.141 flat angles P-C4'-P energy: -0.717 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: 5, replica: 5 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -40.549218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.549218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.549218 (E_RNA) where: Base-Base interactions energy: -18.629 where: short stacking energy: -12.697 Base-Backbone interact. energy: -0.013 local terms energy: -21.907123 where: bonds (distance) C4'-P energy: -3.804 bonds (distance) P-C4' energy: -5.506 flat angles C4'-P-C4' energy: -4.109 flat angles P-C4'-P energy: -4.901 tors. eta vs tors. theta energy: -3.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -41.494662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.494662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.494662 (E_RNA) where: Base-Base interactions energy: -16.882 where: short stacking energy: -16.882 Base-Backbone interact. energy: -0.000 local terms energy: -24.612306 where: bonds (distance) C4'-P energy: -3.921 bonds (distance) P-C4' energy: -5.892 flat angles C4'-P-C4' energy: -4.894 flat angles P-C4'-P energy: -4.185 tors. eta vs tors. theta energy: -5.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -31.313443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.313443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.313443 (E_RNA) where: Base-Base interactions energy: -16.175 where: short stacking energy: -12.436 Base-Backbone interact. energy: -0.004 local terms energy: -15.134726 where: bonds (distance) C4'-P energy: -1.374 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -4.652 flat angles P-C4'-P energy: -0.919 tors. eta vs tors. theta energy: -1.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -37.745067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.745067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.745067 (E_RNA) where: Base-Base interactions energy: -15.751 where: short stacking energy: -12.607 Base-Backbone interact. energy: -0.001 local terms energy: -21.992995 where: bonds (distance) C4'-P energy: -4.639 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -5.925 flat angles P-C4'-P energy: -2.550 tors. eta vs tors. theta energy: -2.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -37.108548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.108548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.108548 (E_RNA) where: Base-Base interactions energy: -14.592 where: short stacking energy: -14.592 Base-Backbone interact. energy: -0.000 local terms energy: -22.516503 where: bonds (distance) C4'-P energy: -3.593 bonds (distance) P-C4' energy: -5.763 flat angles C4'-P-C4' energy: -5.650 flat angles P-C4'-P energy: -4.006 tors. eta vs tors. theta energy: -3.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -38.476120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.476120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.476120 (E_RNA) where: Base-Base interactions energy: -14.153 where: short stacking energy: -14.153 Base-Backbone interact. energy: -0.014 local terms energy: -24.310023 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -5.332 flat angles P-C4'-P energy: -4.877 tors. eta vs tors. theta energy: -3.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -45.521004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.521004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.521004 (E_RNA) where: Base-Base interactions energy: -21.289 where: short stacking energy: -21.289 Base-Backbone interact. energy: -0.025 local terms energy: -24.207096 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -4.645 flat angles P-C4'-P energy: -4.390 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: 2, replica: 2 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -48.512587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.512587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.512587 (E_RNA) where: Base-Base interactions energy: -25.291 where: short stacking energy: -21.391 Base-Backbone interact. energy: -0.000 local terms energy: -23.221499 where: bonds (distance) C4'-P energy: -3.059 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -5.606 flat angles P-C4'-P energy: -4.150 tors. eta vs tors. theta energy: -5.493 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: 8 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -47.798517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.798517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.798517 (E_RNA) where: Base-Base interactions energy: -23.822 where: short stacking energy: -16.288 Base-Backbone interact. energy: -0.017 local terms energy: -23.960158 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -4.394 flat angles P-C4'-P energy: -4.143 tors. eta vs tors. theta energy: -3.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -46.543807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.543807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.543807 (E_RNA) where: Base-Base interactions energy: -19.539 where: short stacking energy: -19.539 Base-Backbone interact. energy: -0.000 local terms energy: -27.005025 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.507 flat angles P-C4'-P energy: -3.811 tors. eta vs tors. theta energy: -6.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -46.147048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.147048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.147048 (E_RNA) where: Base-Base interactions energy: -23.884 where: short stacking energy: -15.712 Base-Backbone interact. energy: -0.076 local terms energy: -22.187585 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -5.056 flat angles P-C4'-P energy: -2.570 tors. eta vs tors. theta energy: -3.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -38.609904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.609904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.609904 (E_RNA) where: Base-Base interactions energy: -16.321 where: short stacking energy: -16.321 Base-Backbone interact. energy: -0.001 local terms energy: -22.287184 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -4.341 flat angles P-C4'-P energy: -3.055 tors. eta vs tors. theta energy: -2.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -32.384953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.384953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.384953 (E_RNA) where: Base-Base interactions energy: -8.653 where: short stacking energy: -7.289 Base-Backbone interact. energy: -0.037 local terms energy: -23.694777 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -6.200 flat angles P-C4'-P energy: -4.078 tors. eta vs tors. theta energy: -1.598 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: 9 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -31.003719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.003719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.003719 (E_RNA) where: Base-Base interactions energy: -14.409 where: short stacking energy: -9.955 Base-Backbone interact. energy: 0.274 local terms energy: -16.868910 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -3.128 flat angles C4'-P-C4' energy: -5.921 flat angles P-C4'-P energy: -2.822 tors. eta vs tors. theta energy: 0.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -35.113436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.113436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.113436 (E_RNA) where: Base-Base interactions energy: -14.060 where: short stacking energy: -11.391 Base-Backbone interact. energy: -0.076 local terms energy: -20.977760 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -3.857 flat angles P-C4'-P energy: -3.200 tors. eta vs tors. theta energy: -2.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -31.364367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.364367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.364367 (E_RNA) where: Base-Base interactions energy: -11.889 where: short stacking energy: -10.516 Base-Backbone interact. energy: -1.054 local terms energy: -18.421337 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -5.273 flat angles C4'-P-C4' energy: -5.585 flat angles P-C4'-P energy: -1.761 tors. eta vs tors. theta energy: -0.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -53.682319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.682319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.682319 (E_RNA) where: Base-Base interactions energy: -26.224 where: short stacking energy: -20.784 Base-Backbone interact. energy: -0.000 local terms energy: -27.458220 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -4.596 flat angles C4'-P-C4' energy: -5.549 flat angles P-C4'-P energy: -4.367 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: 2, replica: 1 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -49.988616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.988616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.988616 (E_RNA) where: Base-Base interactions energy: -21.755 where: short stacking energy: -21.755 Base-Backbone interact. energy: -0.000 local terms energy: -28.233754 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.800 flat angles P-C4'-P energy: -3.722 tors. eta vs tors. theta energy: -6.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -48.870224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.870224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.870224 (E_RNA) where: Base-Base interactions energy: -20.988 where: short stacking energy: -20.988 Base-Backbone interact. energy: -0.000 local terms energy: -27.881763 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.916 flat angles P-C4'-P energy: -3.105 tors. eta vs tors. theta energy: -5.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -40.324956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.324956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.324956 (E_RNA) where: Base-Base interactions energy: -18.784 where: short stacking energy: -18.784 Base-Backbone interact. energy: -0.000 local terms energy: -21.540980 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -5.162 flat angles C4'-P-C4' energy: -4.190 flat angles P-C4'-P energy: -2.573 tors. eta vs tors. theta energy: -4.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -45.242303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.242303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.242303 (E_RNA) where: Base-Base interactions energy: -22.144 where: short stacking energy: -22.144 Base-Backbone interact. energy: -0.000 local terms energy: -23.098265 where: bonds (distance) C4'-P energy: -4.869 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -5.729 flat angles P-C4'-P energy: -3.448 tors. eta vs tors. theta energy: -3.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -37.033881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.033881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.033881 (E_RNA) where: Base-Base interactions energy: -15.677 where: short stacking energy: -15.612 Base-Backbone interact. energy: -0.000 local terms energy: -21.356376 where: bonds (distance) C4'-P energy: -4.391 bonds (distance) P-C4' energy: -3.482 flat angles C4'-P-C4' energy: -5.804 flat angles P-C4'-P energy: -4.235 tors. eta vs tors. theta energy: -3.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -35.307466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.307466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.307466 (E_RNA) where: Base-Base interactions energy: -13.618 where: short stacking energy: -13.618 Base-Backbone interact. energy: -0.018 local terms energy: -21.671633 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -5.604 flat angles C4'-P-C4' energy: -4.238 flat angles P-C4'-P energy: -2.833 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: 4 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -38.394299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.394299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.394299 (E_RNA) where: Base-Base interactions energy: -17.183 where: short stacking energy: -14.062 Base-Backbone interact. energy: -0.002 local terms energy: -21.209854 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -4.170 flat angles C4'-P-C4' energy: -3.251 flat angles P-C4'-P energy: -3.228 tors. eta vs tors. theta energy: -4.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -33.397787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.397787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.397787 (E_RNA) where: Base-Base interactions energy: -17.469 where: short stacking energy: -12.344 Base-Backbone interact. energy: -0.004 local terms energy: -15.924593 where: bonds (distance) C4'-P energy: -3.128 bonds (distance) P-C4' energy: -4.880 flat angles C4'-P-C4' energy: -4.471 flat angles P-C4'-P energy: -3.908 tors. eta vs tors. theta energy: 0.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -33.492336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.492336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.492336 (E_RNA) where: Base-Base interactions energy: -13.633 where: short stacking energy: -13.633 Base-Backbone interact. energy: -0.004 local terms energy: -19.855426 where: bonds (distance) C4'-P energy: -3.415 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -4.466 flat angles P-C4'-P energy: -2.440 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: 1, replica: 2 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -44.969899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.969899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.969899 (E_RNA) where: Base-Base interactions energy: -18.928 where: short stacking energy: -18.928 Base-Backbone interact. energy: -0.006 local terms energy: -26.035768 where: bonds (distance) C4'-P energy: -5.306 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.427 flat angles P-C4'-P energy: -4.038 tors. eta vs tors. theta energy: -3.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -48.678418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.678418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.678418 (E_RNA) where: Base-Base interactions energy: -21.042 where: short stacking energy: -21.042 Base-Backbone interact. energy: -0.000 local terms energy: -27.636622 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.745 flat angles P-C4'-P energy: -3.959 tors. eta vs tors. theta energy: -5.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -50.265254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.265254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.265254 (E_RNA) where: Base-Base interactions energy: -21.423 where: short stacking energy: -21.423 Base-Backbone interact. energy: -0.000 local terms energy: -28.842151 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.401 flat angles P-C4'-P energy: -4.837 tors. eta vs tors. theta energy: -4.598 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: 7 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -38.859800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.859800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.859800 (E_RNA) where: Base-Base interactions energy: -16.613 where: short stacking energy: -16.613 Base-Backbone interact. energy: -0.000 local terms energy: -22.246572 where: bonds (distance) C4'-P energy: -4.756 bonds (distance) P-C4' energy: -4.497 flat angles C4'-P-C4' energy: -4.874 flat angles P-C4'-P energy: -2.674 tors. eta vs tors. theta energy: -5.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -39.553394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.553394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.553394 (E_RNA) where: Base-Base interactions energy: -14.866 where: short stacking energy: -14.866 Base-Backbone interact. energy: -0.037 local terms energy: -24.650024 where: bonds (distance) C4'-P energy: -2.756 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.696 flat angles P-C4'-P energy: -4.517 tors. eta vs tors. theta energy: -4.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -43.269450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.269450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.269450 (E_RNA) where: Base-Base interactions energy: -19.427 where: short stacking energy: -19.427 Base-Backbone interact. energy: -0.003 local terms energy: -23.839298 where: bonds (distance) C4'-P energy: -5.791 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -6.626 flat angles P-C4'-P energy: -4.305 tors. eta vs tors. theta energy: -2.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -32.463033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.463033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.463033 (E_RNA) where: Base-Base interactions energy: -10.624 where: short stacking energy: -10.624 Base-Backbone interact. energy: -0.088 local terms energy: -21.751511 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -5.287 flat angles P-C4'-P energy: -3.848 tors. eta vs tors. theta energy: -2.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -39.251716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.251716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.251716 (E_RNA) where: Base-Base interactions energy: -17.880 where: short stacking energy: -17.880 Base-Backbone interact. energy: -0.073 local terms energy: -21.298403 where: bonds (distance) C4'-P energy: -3.477 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -4.120 flat angles P-C4'-P energy: -3.442 tors. eta vs tors. theta energy: -4.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -34.135967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.135967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.135967 (E_RNA) where: Base-Base interactions energy: -13.284 where: short stacking energy: -13.284 Base-Backbone interact. energy: -0.001 local terms energy: -20.850848 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -3.951 flat angles P-C4'-P energy: -3.569 tors. eta vs tors. theta energy: -1.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -30.632229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.632229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.632229 (E_RNA) where: Base-Base interactions energy: -11.724 where: short stacking energy: -11.724 Base-Backbone interact. energy: -0.001 local terms energy: -18.907252 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -5.374 flat angles C4'-P-C4' energy: -5.747 flat angles P-C4'-P energy: -2.180 tors. eta vs tors. theta energy: 0.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -55.146637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.146637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.146637 (E_RNA) where: Base-Base interactions energy: -26.709 where: short stacking energy: -15.618 Base-Backbone interact. energy: -0.002 local terms energy: -28.435416 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.935 flat angles P-C4'-P energy: -4.792 tors. eta vs tors. theta energy: -6.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -43.232219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.232219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.232219 (E_RNA) where: Base-Base interactions energy: -24.334 where: short stacking energy: -10.824 Base-Backbone interact. energy: -0.281 local terms energy: -18.616652 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -2.371 flat angles P-C4'-P energy: -3.389 tors. eta vs tors. theta energy: -0.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -39.142533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.142533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.142533 (E_RNA) where: Base-Base interactions energy: -16.874 where: short stacking energy: -10.357 Base-Backbone interact. energy: -0.095 local terms energy: -22.173022 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -5.323 flat angles P-C4'-P energy: -3.423 tors. eta vs tors. theta energy: -1.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -43.104211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.104211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.104211 (E_RNA) where: Base-Base interactions energy: -17.316 where: short stacking energy: -17.316 Base-Backbone interact. energy: 0.183 local terms energy: -25.971280 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -6.162 flat angles P-C4'-P energy: -3.337 tors. eta vs tors. theta energy: -3.354 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: 10 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -44.761623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.761623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.761623 (E_RNA) where: Base-Base interactions energy: -17.334 where: short stacking energy: -17.334 Base-Backbone interact. energy: -0.000 local terms energy: -27.427707 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.510 flat angles P-C4'-P energy: -3.245 tors. eta vs tors. theta energy: -4.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -39.273242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.273242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.273242 (E_RNA) where: Base-Base interactions energy: -17.099 where: short stacking energy: -17.099 Base-Backbone interact. energy: -0.000 local terms energy: -22.173525 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -4.950 flat angles P-C4'-P energy: -1.988 tors. eta vs tors. theta energy: -3.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -37.492555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.492555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.492555 (E_RNA) where: Base-Base interactions energy: -13.794 where: short stacking energy: -10.732 Base-Backbone interact. energy: -0.000 local terms energy: -23.698594 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.746 flat angles P-C4'-P energy: -3.081 tors. eta vs tors. theta energy: -2.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -37.115261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.115261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.115261 (E_RNA) where: Base-Base interactions energy: -14.978 where: short stacking energy: -14.978 Base-Backbone interact. energy: -0.000 local terms energy: -22.136831 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -4.519 flat angles C4'-P-C4' energy: -4.591 flat angles P-C4'-P energy: -4.141 tors. eta vs tors. theta energy: -3.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -31.975933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.975933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.975933 (E_RNA) where: Base-Base interactions energy: -8.852 where: short stacking energy: -8.852 Base-Backbone interact. energy: -0.000 local terms energy: -23.123959 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -6.222 flat angles P-C4'-P energy: -2.972 tors. eta vs tors. theta energy: -2.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -32.802809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.802809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.802809 (E_RNA) where: Base-Base interactions energy: -13.340 where: short stacking energy: -8.826 Base-Backbone interact. energy: -0.558 local terms energy: -18.904679 where: bonds (distance) C4'-P energy: -4.495 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -5.501 flat angles P-C4'-P energy: -3.306 tors. eta vs tors. theta energy: -0.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -44.968303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.968303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.968303 (E_RNA) where: Base-Base interactions energy: -18.380 where: short stacking energy: -18.380 Base-Backbone interact. energy: -0.138 local terms energy: -26.450047 where: bonds (distance) C4'-P energy: -6.254 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -5.005 flat angles P-C4'-P energy: -4.961 tors. eta vs tors. theta energy: -3.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -48.529461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.529461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.529461 (E_RNA) where: Base-Base interactions energy: -23.379 where: short stacking energy: -23.379 Base-Backbone interact. energy: -0.000 local terms energy: -25.150480 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.886 flat angles P-C4'-P energy: -3.050 tors. eta vs tors. theta energy: -4.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -49.078888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.078888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.078888 (E_RNA) where: Base-Base interactions energy: -24.087 where: short stacking energy: -24.087 Base-Backbone interact. energy: -0.000 local terms energy: -24.992258 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -4.677 flat angles C4'-P-C4' energy: -5.099 flat angles P-C4'-P energy: -4.675 tors. eta vs tors. theta energy: -5.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -41.038290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.038290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.038290 (E_RNA) where: Base-Base interactions energy: -15.392 where: short stacking energy: -15.392 Base-Backbone interact. energy: -0.001 local terms energy: -25.646047 where: bonds (distance) C4'-P energy: -4.888 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.527 flat angles P-C4'-P energy: -4.926 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: 5, replica: 5 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -39.401867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.401867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.401867 (E_RNA) where: Base-Base interactions energy: -15.270 where: short stacking energy: -15.270 Base-Backbone interact. energy: -0.002 local terms energy: -24.129559 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -3.974 flat angles P-C4'-P energy: -4.259 tors. eta vs tors. theta energy: -3.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -38.148824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.148824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.148824 (E_RNA) where: Base-Base interactions energy: -19.849 where: short stacking energy: -12.003 Base-Backbone interact. energy: -0.003 local terms energy: -18.296666 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -1.481 flat angles P-C4'-P energy: -1.835 tors. eta vs tors. theta energy: -1.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -33.375099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.375099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.375099 (E_RNA) where: Base-Base interactions energy: -15.818 where: short stacking energy: -15.818 Base-Backbone interact. energy: -0.004 local terms energy: -17.552325 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -5.956 flat angles P-C4'-P energy: -0.944 tors. eta vs tors. theta energy: 0.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -43.608003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.608003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.608003 (E_RNA) where: Base-Base interactions energy: -17.290 where: short stacking energy: -17.290 Base-Backbone interact. energy: -0.001 local terms energy: -26.316122 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -6.151 flat angles P-C4'-P energy: -4.156 tors. eta vs tors. theta energy: -4.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -32.860706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.860706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.860706 (E_RNA) where: Base-Base interactions energy: -13.483 where: short stacking energy: -13.483 Base-Backbone interact. energy: -0.000 local terms energy: -19.377088 where: bonds (distance) C4'-P energy: -3.564 bonds (distance) P-C4' energy: -3.997 flat angles C4'-P-C4' energy: -6.025 flat angles P-C4'-P energy: -4.050 tors. eta vs tors. theta energy: -1.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -35.369903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.369903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.369903 (E_RNA) where: Base-Base interactions energy: -14.860 where: short stacking energy: -14.860 Base-Backbone interact. energy: -0.002 local terms energy: -20.507768 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -4.919 flat angles P-C4'-P energy: -0.791 tors. eta vs tors. theta energy: -2.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -50.678559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.678559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.678559 (E_RNA) where: Base-Base interactions energy: -19.643 where: short stacking energy: -19.643 Base-Backbone interact. energy: -0.000 local terms energy: -31.035897 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.470 flat angles P-C4'-P energy: -4.780 tors. eta vs tors. theta energy: -7.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -43.986392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.986392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.986392 (E_RNA) where: Base-Base interactions energy: -18.291 where: short stacking energy: -17.695 Base-Backbone interact. energy: -0.878 local terms energy: -24.818026 where: bonds (distance) C4'-P energy: -5.401 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.604 flat angles P-C4'-P energy: -4.086 tors. eta vs tors. theta energy: -3.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -46.448417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.448417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.448417 (E_RNA) where: Base-Base interactions energy: -21.827 where: short stacking energy: -21.827 Base-Backbone interact. energy: -0.001 local terms energy: -24.620737 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -4.951 flat angles C4'-P-C4' energy: -6.119 flat angles P-C4'-P energy: -2.396 tors. eta vs tors. theta energy: -5.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -39.952738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.952738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.952738 (E_RNA) where: Base-Base interactions energy: -19.704 where: short stacking energy: -19.704 Base-Backbone interact. energy: -0.001 local terms energy: -20.248512 where: bonds (distance) C4'-P energy: -3.307 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -4.729 flat angles P-C4'-P energy: -2.985 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: 5, replica: 4 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -34.609758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.609758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.609758 (E_RNA) where: Base-Base interactions energy: -16.699 where: short stacking energy: -10.309 Base-Backbone interact. energy: -0.086 local terms energy: -17.824910 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -4.170 flat angles C4'-P-C4' energy: -5.042 flat angles P-C4'-P energy: -3.262 tors. eta vs tors. theta energy: 0.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -36.463029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.463029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.463029 (E_RNA) where: Base-Base interactions energy: -14.914 where: short stacking energy: -10.165 Base-Backbone interact. energy: -0.000 local terms energy: -21.549219 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -5.330 flat angles P-C4'-P energy: -3.411 tors. eta vs tors. theta energy: -1.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -36.775758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.775758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.775758 (E_RNA) where: Base-Base interactions energy: -13.428 where: short stacking energy: -12.279 Base-Backbone interact. energy: -0.003 local terms energy: -23.344488 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -4.215 flat angles P-C4'-P energy: -4.514 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: 8 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -33.710036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.710036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.710036 (E_RNA) where: Base-Base interactions energy: -18.165 where: short stacking energy: -8.396 Base-Backbone interact. energy: -0.008 local terms energy: -15.537136 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -2.898 flat angles C4'-P-C4' energy: -5.447 flat angles P-C4'-P energy: -3.098 tors. eta vs tors. theta energy: 1.390 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: 3 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -35.697373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.697373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.697373 (E_RNA) where: Base-Base interactions energy: -14.726 where: short stacking energy: -14.726 Base-Backbone interact. energy: -0.003 local terms energy: -20.968875 where: bonds (distance) C4'-P energy: -3.175 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -3.895 flat angles P-C4'-P energy: -4.358 tors. eta vs tors. theta energy: -2.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -41.859556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.859556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.859556 (E_RNA) where: Base-Base interactions energy: -18.653 where: short stacking energy: -18.653 Base-Backbone interact. energy: -0.000 local terms energy: -23.206080 where: bonds (distance) C4'-P energy: -4.913 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.530 flat angles P-C4'-P energy: -3.889 tors. eta vs tors. theta energy: -3.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -49.791529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.791529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.791529 (E_RNA) where: Base-Base interactions energy: -24.828 where: short stacking energy: -13.592 Base-Backbone interact. energy: -0.003 local terms energy: -24.960658 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.363 flat angles P-C4'-P energy: -2.762 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: 2, replica: 10 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -52.927788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.927788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.927788 (E_RNA) where: Base-Base interactions energy: -22.654 where: short stacking energy: -22.654 Base-Backbone interact. energy: -0.000 local terms energy: -30.273757 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -6.013 flat angles P-C4'-P energy: -3.237 tors. eta vs tors. theta energy: -8.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -51.045960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.045960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.045960 (E_RNA) where: Base-Base interactions energy: -24.209 where: short stacking energy: -24.209 Base-Backbone interact. energy: -0.000 local terms energy: -26.836680 where: bonds (distance) C4'-P energy: -4.570 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.248 flat angles P-C4'-P energy: -4.032 tors. eta vs tors. theta energy: -6.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -44.260663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.260663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.260663 (E_RNA) where: Base-Base interactions energy: -21.889 where: short stacking energy: -15.264 Base-Backbone interact. energy: -0.000 local terms energy: -22.371475 where: bonds (distance) C4'-P energy: -5.244 bonds (distance) P-C4' energy: -4.876 flat angles C4'-P-C4' energy: -5.003 flat angles P-C4'-P energy: -3.365 tors. eta vs tors. theta energy: -3.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -41.828842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.828842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.828842 (E_RNA) where: Base-Base interactions energy: -16.274 where: short stacking energy: -16.274 Base-Backbone interact. energy: -0.000 local terms energy: -25.555226 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -6.751 flat angles P-C4'-P energy: -2.142 tors. eta vs tors. theta energy: -4.846 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: 213 Temperature: 1.150000 Total energy: -36.712129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.712129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.712129 (E_RNA) where: Base-Base interactions energy: -12.384 where: short stacking energy: -12.384 Base-Backbone interact. energy: -0.097 local terms energy: -24.231460 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.018 flat angles P-C4'-P energy: -5.185 tors. eta vs tors. theta energy: -1.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -33.656979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.656979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.656979 (E_RNA) where: Base-Base interactions energy: -11.247 where: short stacking energy: -11.247 Base-Backbone interact. energy: -0.000 local terms energy: -22.410069 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.494 flat angles P-C4'-P energy: -4.439 tors. eta vs tors. theta energy: -0.836 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: 213 Temperature: 1.250000 Total energy: -35.917886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.917886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.917886 (E_RNA) where: Base-Base interactions energy: -17.652 where: short stacking energy: -10.447 Base-Backbone interact. energy: -0.000 local terms energy: -18.265515 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -5.248 flat angles C4'-P-C4' energy: -2.089 flat angles P-C4'-P energy: -4.011 tors. eta vs tors. theta energy: -0.563 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: 9, replica: 3 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -34.034405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.034405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.034405 (E_RNA) where: Base-Base interactions energy: -12.527 where: short stacking energy: -12.527 Base-Backbone interact. energy: -0.000 local terms energy: -21.507245 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -3.486 flat angles P-C4'-P energy: -3.056 tors. eta vs tors. theta energy: -2.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -30.453401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.453401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.453401 (E_RNA) where: Base-Base interactions energy: -15.729 where: short stacking energy: -5.516 Base-Backbone interact. energy: 0.003 local terms energy: -14.727903 where: bonds (distance) C4'-P energy: 0.846 bonds (distance) P-C4' energy: -5.312 flat angles C4'-P-C4' energy: -6.474 flat angles P-C4'-P energy: -3.654 tors. eta vs tors. theta energy: -0.134 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: 10 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -53.854404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.854404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.854404 (E_RNA) where: Base-Base interactions energy: -27.070 where: short stacking energy: -27.070 Base-Backbone interact. energy: -0.000 local terms energy: -26.784594 where: bonds (distance) C4'-P energy: -4.185 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -6.350 flat angles P-C4'-P energy: -2.631 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: 2, replica: 7 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -48.036755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.036755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.036755 (E_RNA) where: Base-Base interactions energy: -22.142 where: short stacking energy: -22.142 Base-Backbone interact. energy: -0.024 local terms energy: -25.871150 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -5.872 flat angles P-C4'-P energy: -3.448 tors. eta vs tors. theta energy: -5.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -51.058794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.058794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.058794 (E_RNA) where: Base-Base interactions energy: -24.887 where: short stacking energy: -17.446 Base-Backbone interact. energy: -0.091 local terms energy: -26.080785 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.763 flat angles C4'-P-C4' energy: -5.868 flat angles P-C4'-P energy: -4.382 tors. eta vs tors. theta energy: -3.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -44.333938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.333938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.333938 (E_RNA) where: Base-Base interactions energy: -19.382 where: short stacking energy: -19.382 Base-Backbone interact. energy: -0.000 local terms energy: -24.952394 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -3.201 flat angles P-C4'-P energy: -5.020 tors. eta vs tors. theta energy: -5.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -32.580531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.580531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.580531 (E_RNA) where: Base-Base interactions energy: -13.086 where: short stacking energy: -13.086 Base-Backbone interact. energy: -0.112 local terms energy: -19.382854 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -3.064 flat angles P-C4'-P energy: -4.228 tors. eta vs tors. theta energy: 0.136 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: 4 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -35.854023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.854023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.854023 (E_RNA) where: Base-Base interactions energy: -14.305 where: short stacking energy: -10.031 Base-Backbone interact. energy: -0.224 local terms energy: -21.325110 where: bonds (distance) C4'-P energy: -4.872 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -5.159 flat angles P-C4'-P energy: -5.145 tors. eta vs tors. theta energy: -1.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -36.449326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.449326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.449326 (E_RNA) where: Base-Base interactions energy: -20.666 where: short stacking energy: -8.891 Base-Backbone interact. energy: 0.085 local terms energy: -15.868256 where: bonds (distance) C4'-P energy: -3.821 bonds (distance) P-C4' energy: -6.392 flat angles C4'-P-C4' energy: -2.655 flat angles P-C4'-P energy: -1.533 tors. eta vs tors. theta energy: -1.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -46.063744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.063744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.063744 (E_RNA) where: Base-Base interactions energy: -24.996 where: short stacking energy: -15.812 Base-Backbone interact. energy: -0.005 local terms energy: -21.063173 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -3.846 flat angles C4'-P-C4' energy: -5.463 flat angles P-C4'-P energy: -2.214 tors. eta vs tors. theta energy: -3.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -36.933189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.933189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.933189 (E_RNA) where: Base-Base interactions energy: -15.824 where: short stacking energy: -8.026 Base-Backbone interact. energy: -0.111 local terms energy: -20.997542 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -5.346 flat angles C4'-P-C4' energy: -3.960 flat angles P-C4'-P energy: -4.891 tors. eta vs tors. theta energy: -0.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -37.914434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.914434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.914434 (E_RNA) where: Base-Base interactions energy: -21.929 where: short stacking energy: -20.715 Base-Backbone interact. energy: 0.838 local terms energy: -16.823405 where: bonds (distance) C4'-P energy: -2.819 bonds (distance) P-C4' energy: -3.740 flat angles C4'-P-C4' energy: -4.529 flat angles P-C4'-P energy: -2.327 tors. eta vs tors. theta energy: -3.409 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: 10 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -48.315727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.315727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.315727 (E_RNA) where: Base-Base interactions energy: -25.442 where: short stacking energy: -12.835 Base-Backbone interact. energy: -0.055 local terms energy: -22.819154 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -5.162 flat angles C4'-P-C4' energy: -5.432 flat angles P-C4'-P energy: -4.186 tors. eta vs tors. theta energy: -2.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -41.784891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.784891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.784891 (E_RNA) where: Base-Base interactions energy: -18.045 where: short stacking energy: -18.045 Base-Backbone interact. energy: -0.000 local terms energy: -23.739567 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -4.402 flat angles C4'-P-C4' energy: -6.067 flat angles P-C4'-P energy: -3.682 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: 3, replica: 2 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -41.803809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.803809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.803809 (E_RNA) where: Base-Base interactions energy: -17.221 where: short stacking energy: -14.490 Base-Backbone interact. energy: -0.501 local terms energy: -24.082302 where: bonds (distance) C4'-P energy: -4.872 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -3.619 flat angles P-C4'-P energy: -4.934 tors. eta vs tors. theta energy: -4.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -41.070110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.070110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.070110 (E_RNA) where: Base-Base interactions energy: -26.027 where: short stacking energy: -7.735 Base-Backbone interact. energy: -0.413 local terms energy: -14.630739 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -4.663 flat angles C4'-P-C4' energy: -2.074 flat angles P-C4'-P energy: -2.064 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: 5, replica: 1 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -38.346393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.346393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.346393 (E_RNA) where: Base-Base interactions energy: -14.130 where: short stacking energy: -14.130 Base-Backbone interact. energy: -0.001 local terms energy: -24.215465 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -4.782 flat angles P-C4'-P energy: -3.509 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: 6, replica: 4 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -39.962719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.962719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.962719 (E_RNA) where: Base-Base interactions energy: -15.727 where: short stacking energy: -15.727 Base-Backbone interact. energy: -0.066 local terms energy: -24.170347 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -4.516 flat angles P-C4'-P energy: -3.467 tors. eta vs tors. theta energy: -4.179 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: 8 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -39.417196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.417196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.417196 (E_RNA) where: Base-Base interactions energy: -16.687 where: short stacking energy: -16.687 Base-Backbone interact. energy: -0.760 local terms energy: -21.970310 where: bonds (distance) C4'-P energy: -3.469 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.270 flat angles P-C4'-P energy: -2.455 tors. eta vs tors. theta energy: -2.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -32.982356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.982356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.982356 (E_RNA) where: Base-Base interactions energy: -9.425 where: short stacking energy: -9.425 Base-Backbone interact. energy: -0.000 local terms energy: -23.556849 where: bonds (distance) C4'-P energy: -4.380 bonds (distance) P-C4' energy: -5.374 flat angles C4'-P-C4' energy: -6.136 flat angles P-C4'-P energy: -5.402 tors. eta vs tors. theta energy: -2.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -31.235522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.235522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.235522 (E_RNA) where: Base-Base interactions energy: -11.502 where: short stacking energy: -11.502 Base-Backbone interact. energy: -0.001 local terms energy: -19.732256 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -4.122 flat angles P-C4'-P energy: -1.911 tors. eta vs tors. theta energy: -1.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -34.561857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.561857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.561857 (E_RNA) where: Base-Base interactions energy: -15.451 where: short stacking energy: -15.451 Base-Backbone interact. energy: -0.000 local terms energy: -19.110458 where: bonds (distance) C4'-P energy: -4.815 bonds (distance) P-C4' energy: -4.199 flat angles C4'-P-C4' energy: -5.548 flat angles P-C4'-P energy: -1.882 tors. eta vs tors. theta energy: -2.667 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: 216 Temperature: 0.900000 Total energy: -46.249712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.249712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.249712 (E_RNA) where: Base-Base interactions energy: -18.092 where: short stacking energy: -14.595 Base-Backbone interact. energy: -0.090 local terms energy: -28.067026 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.970 flat angles P-C4'-P energy: -4.040 tors. eta vs tors. theta energy: -5.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -57.646538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.646538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.646538 (E_RNA) where: Base-Base interactions energy: -33.241 where: short stacking energy: -20.051 Base-Backbone interact. energy: -0.267 local terms energy: -24.138579 where: bonds (distance) C4'-P energy: -4.868 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -3.615 flat angles P-C4'-P energy: -5.232 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: 3, replica: 5 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -41.981025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.981025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.981025 (E_RNA) where: Base-Base interactions energy: -16.564 where: short stacking energy: -16.192 Base-Backbone interact. energy: -0.000 local terms energy: -25.416511 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.391 flat angles P-C4'-P energy: -3.093 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: 4, replica: 2 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -46.289251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.289251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.289251 (E_RNA) where: Base-Base interactions energy: -27.305 where: short stacking energy: -18.188 Base-Backbone interact. energy: -0.087 local terms energy: -18.897165 where: bonds (distance) C4'-P energy: -3.894 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -5.921 flat angles P-C4'-P energy: -1.607 tors. eta vs tors. theta energy: -2.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -47.705477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.705477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.705477 (E_RNA) where: Base-Base interactions energy: -23.675 where: short stacking energy: -14.641 Base-Backbone interact. energy: -0.104 local terms energy: -23.926620 where: bonds (distance) C4'-P energy: -4.010 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -5.553 flat angles P-C4'-P energy: -3.102 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: 6, replica: 4 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -34.159211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.159211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.159211 (E_RNA) where: Base-Base interactions energy: -14.044 where: short stacking energy: -14.044 Base-Backbone interact. energy: -0.000 local terms energy: -20.115386 where: bonds (distance) C4'-P energy: -4.719 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -1.721 flat angles P-C4'-P energy: -4.971 tors. eta vs tors. theta energy: -2.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -36.965386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.965386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.965386 (E_RNA) where: Base-Base interactions energy: -16.868 where: short stacking energy: -11.845 Base-Backbone interact. energy: -0.001 local terms energy: -20.096421 where: bonds (distance) C4'-P energy: -2.202 bonds (distance) P-C4' energy: -5.181 flat angles C4'-P-C4' energy: -4.065 flat angles P-C4'-P energy: -4.611 tors. eta vs tors. theta energy: -4.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -35.278118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.278118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.278118 (E_RNA) where: Base-Base interactions energy: -13.337 where: short stacking energy: -13.337 Base-Backbone interact. energy: -0.000 local terms energy: -21.940987 where: bonds (distance) C4'-P energy: -4.098 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.531 flat angles P-C4'-P energy: -4.093 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: 3 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -32.588961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.588961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.588961 (E_RNA) where: Base-Base interactions energy: -8.555 where: short stacking energy: -8.555 Base-Backbone interact. energy: -0.001 local terms energy: -24.032824 where: bonds (distance) C4'-P energy: -5.365 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.219 flat angles P-C4'-P energy: -4.341 tors. eta vs tors. theta energy: -2.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -34.062563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.062563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.062563 (E_RNA) where: Base-Base interactions energy: -12.554 where: short stacking energy: -12.554 Base-Backbone interact. energy: -0.037 local terms energy: -21.471785 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -5.002 flat angles P-C4'-P energy: -4.078 tors. eta vs tors. theta energy: -0.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -50.548868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.548868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.548868 (E_RNA) where: Base-Base interactions energy: -21.501 where: short stacking energy: -21.501 Base-Backbone interact. energy: -0.000 local terms energy: -29.047581 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.813 flat angles P-C4'-P energy: -5.154 tors. eta vs tors. theta energy: -6.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -45.612092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.612092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.612092 (E_RNA) where: Base-Base interactions energy: -19.287 where: short stacking energy: -19.287 Base-Backbone interact. energy: -0.127 local terms energy: -26.197943 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -6.455 flat angles P-C4'-P energy: -4.757 tors. eta vs tors. theta energy: -3.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -46.128958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.128958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.128958 (E_RNA) where: Base-Base interactions energy: -19.319 where: short stacking energy: -19.319 Base-Backbone interact. energy: -0.000 local terms energy: -26.809584 where: bonds (distance) C4'-P energy: -4.268 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.258 flat angles P-C4'-P energy: -4.751 tors. eta vs tors. theta energy: -5.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -43.692739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.692739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.692739 (E_RNA) where: Base-Base interactions energy: -21.063 where: short stacking energy: -21.063 Base-Backbone interact. energy: -0.000 local terms energy: -22.630080 where: bonds (distance) C4'-P energy: -5.394 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -3.741 flat angles P-C4'-P energy: -2.334 tors. eta vs tors. theta energy: -4.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -46.044693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.044693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.044693 (E_RNA) where: Base-Base interactions energy: -24.901 where: short stacking energy: -14.752 Base-Backbone interact. energy: -0.001 local terms energy: -21.143544 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -2.864 flat angles C4'-P-C4' energy: -3.275 flat angles P-C4'-P energy: -3.140 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: 6, replica: 9 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -39.031399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.031399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.031399 (E_RNA) where: Base-Base interactions energy: -13.357 where: short stacking energy: -13.357 Base-Backbone interact. energy: -0.002 local terms energy: -25.673082 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -3.991 flat angles P-C4'-P energy: -4.116 tors. eta vs tors. theta energy: -5.042 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: 4 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -35.894153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.894153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.894153 (E_RNA) where: Base-Base interactions energy: -13.708 where: short stacking energy: -13.708 Base-Backbone interact. energy: -0.001 local terms energy: -22.184924 where: bonds (distance) C4'-P energy: -5.688 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -4.637 flat angles P-C4'-P energy: -2.363 tors. eta vs tors. theta energy: -3.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -39.676419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.676419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.676419 (E_RNA) where: Base-Base interactions energy: -15.596 where: short stacking energy: -13.916 Base-Backbone interact. energy: -0.099 local terms energy: -23.981045 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.798 flat angles P-C4'-P energy: -3.853 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: 9, replica: 8 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -31.927656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.927656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.927656 (E_RNA) where: Base-Base interactions energy: -10.988 where: short stacking energy: -10.988 Base-Backbone interact. energy: -0.117 local terms energy: -20.822016 where: bonds (distance) C4'-P energy: -3.324 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -4.565 flat angles P-C4'-P energy: -3.011 tors. eta vs tors. theta energy: -3.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -33.468462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.468462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.468462 (E_RNA) where: Base-Base interactions energy: -17.483 where: short stacking energy: -17.483 Base-Backbone interact. energy: -0.000 local terms energy: -15.985619 where: bonds (distance) C4'-P energy: -2.070 bonds (distance) P-C4' energy: -0.588 flat angles C4'-P-C4' energy: -6.077 flat angles P-C4'-P energy: -2.842 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: 5 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -47.202036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.202036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.202036 (E_RNA) where: Base-Base interactions energy: -19.231 where: short stacking energy: -19.231 Base-Backbone interact. energy: -0.002 local terms energy: -27.968787 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -6.113 flat angles P-C4'-P energy: -4.927 tors. eta vs tors. theta energy: -5.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -48.343459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.343459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.343459 (E_RNA) where: Base-Base interactions energy: -21.285 where: short stacking energy: -21.285 Base-Backbone interact. energy: -0.000 local terms energy: -27.058066 where: bonds (distance) C4'-P energy: -5.207 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.108 flat angles P-C4'-P energy: -2.442 tors. eta vs tors. theta energy: -6.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -38.882400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.882400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.882400 (E_RNA) where: Base-Base interactions energy: -13.257 where: short stacking energy: -13.257 Base-Backbone interact. energy: -0.059 local terms energy: -25.566679 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -6.254 flat angles P-C4'-P energy: -3.744 tors. eta vs tors. theta energy: -3.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -45.098455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.098455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.098455 (E_RNA) where: Base-Base interactions energy: -20.238 where: short stacking energy: -20.238 Base-Backbone interact. energy: -0.140 local terms energy: -24.720529 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -4.386 flat angles P-C4'-P energy: -5.115 tors. eta vs tors. theta energy: -4.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -37.709419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.709419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.709419 (E_RNA) where: Base-Base interactions energy: -13.725 where: short stacking energy: -13.725 Base-Backbone interact. energy: -0.014 local terms energy: -23.970167 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -5.368 flat angles C4'-P-C4' energy: -5.268 flat angles P-C4'-P energy: -3.553 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: 6, replica: 2 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -36.438679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.438679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.438679 (E_RNA) where: Base-Base interactions energy: -16.655 where: short stacking energy: -16.655 Base-Backbone interact. energy: -0.103 local terms energy: -19.681069 where: bonds (distance) C4'-P energy: -3.841 bonds (distance) P-C4' energy: -5.684 flat angles C4'-P-C4' energy: -2.971 flat angles P-C4'-P energy: -3.513 tors. eta vs tors. theta energy: -3.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -42.538614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.538614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.538614 (E_RNA) where: Base-Base interactions energy: -19.825 where: short stacking energy: -19.825 Base-Backbone interact. energy: -0.012 local terms energy: -22.700948 where: bonds (distance) C4'-P energy: -5.393 bonds (distance) P-C4' energy: -3.712 flat angles C4'-P-C4' energy: -3.967 flat angles P-C4'-P energy: -4.016 tors. eta vs tors. theta energy: -5.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -36.844722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.844722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.844722 (E_RNA) where: Base-Base interactions energy: -13.987 where: short stacking energy: -13.987 Base-Backbone interact. energy: -0.000 local terms energy: -22.856880 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.771 flat angles P-C4'-P energy: -1.486 tors. eta vs tors. theta energy: -4.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -35.530801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.530801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.530801 (E_RNA) where: Base-Base interactions energy: -12.109 where: short stacking energy: -12.109 Base-Backbone interact. energy: -0.000 local terms energy: -23.421774 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -3.352 flat angles C4'-P-C4' energy: -6.347 flat angles P-C4'-P energy: -3.427 tors. eta vs tors. theta energy: -4.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -31.229615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.229615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.229615 (E_RNA) where: Base-Base interactions energy: -13.246 where: short stacking energy: -13.246 Base-Backbone interact. energy: -0.021 local terms energy: -17.962569 where: bonds (distance) C4'-P energy: -2.678 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -3.802 flat angles P-C4'-P energy: -3.029 tors. eta vs tors. theta energy: -2.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -50.028764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.028764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.028764 (E_RNA) where: Base-Base interactions energy: -22.924 where: short stacking energy: -22.924 Base-Backbone interact. energy: -0.000 local terms energy: -27.104363 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -5.283 flat angles P-C4'-P energy: -3.565 tors. eta vs tors. theta energy: -6.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -46.627211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.627211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.627211 (E_RNA) where: Base-Base interactions energy: -20.392 where: short stacking energy: -14.973 Base-Backbone interact. energy: -0.002 local terms energy: -26.233567 where: bonds (distance) C4'-P energy: -5.737 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.622 flat angles P-C4'-P energy: -3.492 tors. eta vs tors. theta energy: -3.504 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: 3, replica: 7 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -41.251422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.251422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.251422 (E_RNA) where: Base-Base interactions energy: -16.519 where: short stacking energy: -16.519 Base-Backbone interact. energy: -0.000 local terms energy: -24.732846 where: bonds (distance) C4'-P energy: -3.990 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.970 flat angles P-C4'-P energy: -4.784 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: 4, replica: 9 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -41.038367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.038367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.038367 (E_RNA) where: Base-Base interactions energy: -16.311 where: short stacking energy: -16.311 Base-Backbone interact. energy: -0.045 local terms energy: -24.681845 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -5.128 flat angles C4'-P-C4' energy: -6.611 flat angles P-C4'-P energy: -4.706 tors. eta vs tors. theta energy: -3.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -52.083422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.083422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.083422 (E_RNA) where: Base-Base interactions energy: -23.499 where: short stacking energy: -23.499 Base-Backbone interact. energy: -0.000 local terms energy: -28.584347 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -6.059 flat angles P-C4'-P energy: -5.084 tors. eta vs tors. theta energy: -5.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -53.179521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.179521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.179521 (E_RNA) where: Base-Base interactions energy: -30.493 where: short stacking energy: -17.395 Base-Backbone interact. energy: -0.416 local terms energy: -22.270431 where: bonds (distance) C4'-P energy: -5.125 bonds (distance) P-C4' energy: -5.923 flat angles C4'-P-C4' energy: -6.622 flat angles P-C4'-P energy: -1.027 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: 7, replica: 2 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -33.987918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.987918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.987918 (E_RNA) where: Base-Base interactions energy: -12.368 where: short stacking energy: -12.368 Base-Backbone interact. energy: -0.000 local terms energy: -21.619688 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.086 flat angles P-C4'-P energy: -1.869 tors. eta vs tors. theta energy: -1.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -41.780205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.780205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.780205 (E_RNA) where: Base-Base interactions energy: -23.788 where: short stacking energy: -7.539 Base-Backbone interact. energy: -0.462 local terms energy: -17.530181 where: bonds (distance) C4'-P energy: -3.910 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.584 flat angles P-C4'-P energy: -3.258 tors. eta vs tors. theta energy: 1.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -35.911591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.911591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.911591 (E_RNA) where: Base-Base interactions energy: -14.104 where: short stacking energy: -14.104 Base-Backbone interact. energy: -0.001 local terms energy: -21.806118 where: bonds (distance) C4'-P energy: -4.661 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.558 flat angles P-C4'-P energy: -3.804 tors. eta vs tors. theta energy: -2.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -31.722788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.722788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.722788 (E_RNA) where: Base-Base interactions energy: -12.034 where: short stacking energy: -12.034 Base-Backbone interact. energy: -0.010 local terms energy: -19.678413 where: bonds (distance) C4'-P energy: -4.913 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.884 flat angles P-C4'-P energy: -3.446 tors. eta vs tors. theta energy: -1.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -53.470009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.470009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.470009 (E_RNA) where: Base-Base interactions energy: -24.815 where: short stacking energy: -24.815 Base-Backbone interact. energy: -0.000 local terms energy: -28.655446 where: bonds (distance) C4'-P energy: -3.361 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.244 flat angles P-C4'-P energy: -4.998 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: 2, replica: 1 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -43.888682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.888682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.888682 (E_RNA) where: Base-Base interactions energy: -25.526 where: short stacking energy: -5.952 Base-Backbone interact. energy: -0.030 local terms energy: -18.332259 where: bonds (distance) C4'-P energy: -4.316 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.794 flat angles P-C4'-P energy: -2.789 tors. eta vs tors. theta energy: 0.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -41.601830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.601830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.601830 (E_RNA) where: Base-Base interactions energy: -15.217 where: short stacking energy: -15.217 Base-Backbone interact. energy: -0.000 local terms energy: -26.384719 where: bonds (distance) C4'-P energy: -3.833 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -6.273 flat angles P-C4'-P energy: -5.084 tors. eta vs tors. theta energy: -4.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -38.566157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.566157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.566157 (E_RNA) where: Base-Base interactions energy: -18.673 where: short stacking energy: -18.167 Base-Backbone interact. energy: -0.018 local terms energy: -19.875281 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -5.203 flat angles C4'-P-C4' energy: -4.672 flat angles P-C4'-P energy: -2.473 tors. eta vs tors. theta energy: -2.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -42.534024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.534024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.534024 (E_RNA) where: Base-Base interactions energy: -18.990 where: short stacking energy: -18.990 Base-Backbone interact. energy: -0.010 local terms energy: -23.534050 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -5.994 flat angles P-C4'-P energy: -2.726 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: 6, replica: 10 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -37.427662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.427662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.427662 (E_RNA) where: Base-Base interactions energy: -16.775 where: short stacking energy: -8.810 Base-Backbone interact. energy: 0.522 local terms energy: -21.173997 where: bonds (distance) C4'-P energy: -5.096 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.909 flat angles P-C4'-P energy: -2.655 tors. eta vs tors. theta energy: -0.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -34.194805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.194805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.194805 (E_RNA) where: Base-Base interactions energy: -13.329 where: short stacking energy: -13.329 Base-Backbone interact. energy: -0.046 local terms energy: -20.819467 where: bonds (distance) C4'-P energy: -3.494 bonds (distance) P-C4' energy: -5.837 flat angles C4'-P-C4' energy: -6.321 flat angles P-C4'-P energy: -4.560 tors. eta vs tors. theta energy: -0.608 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: 8, replica: 4 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -39.705379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.705379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.705379 (E_RNA) where: Base-Base interactions energy: -19.483 where: short stacking energy: -19.483 Base-Backbone interact. energy: -0.000 local terms energy: -20.222042 where: bonds (distance) C4'-P energy: -2.550 bonds (distance) P-C4' energy: -5.861 flat angles C4'-P-C4' energy: -6.197 flat angles P-C4'-P energy: -2.076 tors. eta vs tors. theta energy: -3.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -31.708109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.708109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.708109 (E_RNA) where: Base-Base interactions energy: -11.897 where: short stacking energy: -11.897 Base-Backbone interact. energy: -0.076 local terms energy: -19.735611 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.872 flat angles P-C4'-P energy: -3.285 tors. eta vs tors. theta energy: 1.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -33.632589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.632589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.632589 (E_RNA) where: Base-Base interactions energy: -11.497 where: short stacking energy: -11.497 Base-Backbone interact. energy: -0.001 local terms energy: -22.134170 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.815 flat angles P-C4'-P energy: -3.221 tors. eta vs tors. theta energy: -1.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -46.718486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.718486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.718486 (E_RNA) where: Base-Base interactions energy: -21.433 where: short stacking energy: -21.433 Base-Backbone interact. energy: -0.000 local terms energy: -25.285308 where: bonds (distance) C4'-P energy: -6.362 bonds (distance) P-C4' energy: -4.935 flat angles C4'-P-C4' energy: -5.235 flat angles P-C4'-P energy: -2.901 tors. eta vs tors. theta energy: -5.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -53.869618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.869618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.869618 (E_RNA) where: Base-Base interactions energy: -24.068 where: short stacking energy: -24.068 Base-Backbone interact. energy: -0.000 local terms energy: -29.801551 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -5.836 flat angles C4'-P-C4' energy: -6.450 flat angles P-C4'-P energy: -5.447 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: 3, replica: 9 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -47.930692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.930692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.930692 (E_RNA) where: Base-Base interactions energy: -22.225 where: short stacking energy: -22.225 Base-Backbone interact. energy: -0.000 local terms energy: -25.705482 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -5.586 flat angles P-C4'-P energy: -3.151 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: 4, replica: 3 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -40.991778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.991778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.991778 (E_RNA) where: Base-Base interactions energy: -15.158 where: short stacking energy: -15.158 Base-Backbone interact. energy: -0.014 local terms energy: -25.819708 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -5.091 flat angles P-C4'-P energy: -3.821 tors. eta vs tors. theta energy: -4.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -38.102881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.102881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.102881 (E_RNA) where: Base-Base interactions energy: -15.723 where: short stacking energy: -14.111 Base-Backbone interact. energy: -0.001 local terms energy: -22.378793 where: bonds (distance) C4'-P energy: -5.055 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -4.306 flat angles P-C4'-P energy: -3.783 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: 6, replica: 2 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -43.010845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.010845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.010845 (E_RNA) where: Base-Base interactions energy: -20.721 where: short stacking energy: -17.709 Base-Backbone interact. energy: -0.073 local terms energy: -22.215967 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -3.307 flat angles P-C4'-P energy: -4.337 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: 7, replica: 10 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -39.271940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.271940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.271940 (E_RNA) where: Base-Base interactions energy: -19.210 where: short stacking energy: -19.210 Base-Backbone interact. energy: -0.000 local terms energy: -20.061318 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -5.921 flat angles P-C4'-P energy: 1.777 tors. eta vs tors. theta energy: -6.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -38.855531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.855531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.855531 (E_RNA) where: Base-Base interactions energy: -15.174 where: short stacking energy: -15.174 Base-Backbone interact. energy: -0.000 local terms energy: -23.681329 where: bonds (distance) C4'-P energy: -4.549 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -5.561 flat angles P-C4'-P energy: -2.923 tors. eta vs tors. theta energy: -4.818 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: 9, replica: 6 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -30.782365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.782365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.782365 (E_RNA) where: Base-Base interactions energy: -12.793 where: short stacking energy: -12.793 Base-Backbone interact. energy: -0.001 local terms energy: -17.988586 where: bonds (distance) C4'-P energy: -3.829 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -6.093 flat angles P-C4'-P energy: -1.515 tors. eta vs tors. theta energy: -1.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -33.202263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.202263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.202263 (E_RNA) where: Base-Base interactions energy: -11.112 where: short stacking energy: -8.140 Base-Backbone interact. energy: -0.018 local terms energy: -22.071993 where: bonds (distance) C4'-P energy: -3.050 bonds (distance) P-C4' energy: -5.103 flat angles C4'-P-C4' energy: -5.680 flat angles P-C4'-P energy: -3.752 tors. eta vs tors. theta energy: -4.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -50.884773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.884773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.884773 (E_RNA) where: Base-Base interactions energy: -26.099 where: short stacking energy: -15.728 Base-Backbone interact. energy: -0.001 local terms energy: -24.784847 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.651 flat angles P-C4'-P energy: -2.309 tors. eta vs tors. theta energy: -4.278 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: 1 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -55.758207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.758207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.758207 (E_RNA) where: Base-Base interactions energy: -41.003 where: short stacking energy: -15.195 Base-Backbone interact. energy: -0.012 local terms energy: -14.743116 where: bonds (distance) C4'-P energy: -2.057 bonds (distance) P-C4' energy: -5.512 flat angles C4'-P-C4' energy: -4.327 flat angles P-C4'-P energy: -3.372 tors. eta vs tors. theta energy: 0.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -44.477672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.477672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.477672 (E_RNA) where: Base-Base interactions energy: -21.670 where: short stacking energy: -14.912 Base-Backbone interact. energy: -0.025 local terms energy: -22.782773 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -5.711 flat angles P-C4'-P energy: -2.864 tors. eta vs tors. theta energy: -3.124 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: 4, replica: 9 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -43.564155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.564155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.564155 (E_RNA) where: Base-Base interactions energy: -16.859 where: short stacking energy: -16.859 Base-Backbone interact. energy: -0.091 local terms energy: -26.613571 where: bonds (distance) C4'-P energy: -5.277 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -5.806 flat angles P-C4'-P energy: -3.411 tors. eta vs tors. theta energy: -5.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -43.334286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.334286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.334286 (E_RNA) where: Base-Base interactions energy: -19.352 where: short stacking energy: -19.352 Base-Backbone interact. energy: -0.000 local terms energy: -23.981987 where: bonds (distance) C4'-P energy: -4.864 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.554 flat angles P-C4'-P energy: -3.287 tors. eta vs tors. theta energy: -3.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -37.626911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.626911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.626911 (E_RNA) where: Base-Base interactions energy: -15.561 where: short stacking energy: -15.561 Base-Backbone interact. energy: -0.014 local terms energy: -22.052212 where: bonds (distance) C4'-P energy: -4.939 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -4.928 flat angles P-C4'-P energy: -3.828 tors. eta vs tors. theta energy: -3.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -36.274640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.274640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.274640 (E_RNA) where: Base-Base interactions energy: -13.154 where: short stacking energy: -13.154 Base-Backbone interact. energy: -0.095 local terms energy: -23.025602 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -4.260 flat angles P-C4'-P energy: -3.255 tors. eta vs tors. theta energy: -2.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -32.392532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.392532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.392532 (E_RNA) where: Base-Base interactions energy: -13.313 where: short stacking energy: -7.607 Base-Backbone interact. energy: -0.077 local terms energy: -19.002403 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.026 flat angles P-C4'-P energy: -1.050 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: 9, replica: 8 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -35.697353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.697353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.697353 (E_RNA) where: Base-Base interactions energy: -12.612 where: short stacking energy: -12.612 Base-Backbone interact. energy: -0.000 local terms energy: -23.085425 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.161 flat angles P-C4'-P energy: -1.809 tors. eta vs tors. theta energy: -4.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -30.934347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.934347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.934347 (E_RNA) where: Base-Base interactions energy: -11.751 where: short stacking energy: -11.751 Base-Backbone interact. energy: -0.001 local terms energy: -19.182421 where: bonds (distance) C4'-P energy: -4.773 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -3.234 flat angles P-C4'-P energy: -3.926 tors. eta vs tors. theta energy: -1.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -49.454882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.454882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.454882 (E_RNA) where: Base-Base interactions energy: -22.758 where: short stacking energy: -14.440 Base-Backbone interact. energy: -0.000 local terms energy: -26.696484 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -5.699 flat angles C4'-P-C4' energy: -6.405 flat angles P-C4'-P energy: -4.675 tors. eta vs tors. theta energy: -5.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -43.399608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.399608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.399608 (E_RNA) where: Base-Base interactions energy: -19.275 where: short stacking energy: -19.275 Base-Backbone interact. energy: -0.000 local terms energy: -24.124710 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -5.635 flat angles C4'-P-C4' energy: -5.483 flat angles P-C4'-P energy: -3.529 tors. eta vs tors. theta energy: -3.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -52.033592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.033592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.033592 (E_RNA) where: Base-Base interactions energy: -25.529 where: short stacking energy: -11.285 Base-Backbone interact. energy: -0.059 local terms energy: -26.445653 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -5.515 flat angles P-C4'-P energy: -5.209 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: 4, replica: 2 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -42.612790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.612790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.612790 (E_RNA) where: Base-Base interactions energy: -19.066 where: short stacking energy: -17.796 Base-Backbone interact. energy: -0.060 local terms energy: -23.486342 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -5.131 flat angles P-C4'-P energy: -3.808 tors. eta vs tors. theta energy: -3.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -45.640502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.640502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.640502 (E_RNA) where: Base-Base interactions energy: -19.773 where: short stacking energy: -19.773 Base-Backbone interact. energy: -0.050 local terms energy: -25.817318 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -5.140 flat angles P-C4'-P energy: -4.234 tors. eta vs tors. theta energy: -4.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -45.280557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.280557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.280557 (E_RNA) where: Base-Base interactions energy: -18.653 where: short stacking energy: -18.653 Base-Backbone interact. energy: -0.000 local terms energy: -26.627259 where: bonds (distance) C4'-P energy: -4.856 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.680 flat angles P-C4'-P energy: -2.711 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: 7, replica: 7 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -35.479360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.479360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.479360 (E_RNA) where: Base-Base interactions energy: -12.139 where: short stacking energy: -12.139 Base-Backbone interact. energy: -0.018 local terms energy: -23.321649 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.420 flat angles P-C4'-P energy: -1.531 tors. eta vs tors. theta energy: -4.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -33.532520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.532520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.532520 (E_RNA) where: Base-Base interactions energy: -11.403 where: short stacking energy: -11.403 Base-Backbone interact. energy: -0.001 local terms energy: -22.128490 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -5.512 flat angles C4'-P-C4' energy: -5.500 flat angles P-C4'-P energy: -2.628 tors. eta vs tors. theta energy: -3.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -34.558169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.558169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.558169 (E_RNA) where: Base-Base interactions energy: -11.072 where: short stacking energy: -11.072 Base-Backbone interact. energy: -0.103 local terms energy: -23.382810 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -3.980 flat angles P-C4'-P energy: -4.611 tors. eta vs tors. theta energy: -3.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -37.274140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.274140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.274140 (E_RNA) where: Base-Base interactions energy: -13.081 where: short stacking energy: -6.979 Base-Backbone interact. energy: -0.004 local terms energy: -24.188832 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.259 flat angles P-C4'-P energy: -4.169 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: 3 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -53.018972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.018972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.018972 (E_RNA) where: Base-Base interactions energy: -25.890 where: short stacking energy: -25.890 Base-Backbone interact. energy: -0.000 local terms energy: -27.129138 where: bonds (distance) C4'-P energy: -4.755 bonds (distance) P-C4' energy: -5.604 flat angles C4'-P-C4' energy: -6.443 flat angles P-C4'-P energy: -4.282 tors. eta vs tors. theta energy: -6.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -42.865544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.865544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.865544 (E_RNA) where: Base-Base interactions energy: -18.898 where: short stacking energy: -18.898 Base-Backbone interact. energy: -0.001 local terms energy: -23.966186 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.247 flat angles P-C4'-P energy: -3.690 tors. eta vs tors. theta energy: -3.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -42.783144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.783144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.783144 (E_RNA) where: Base-Base interactions energy: -17.121 where: short stacking energy: -17.121 Base-Backbone interact. energy: -0.000 local terms energy: -25.662068 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -4.751 flat angles C4'-P-C4' energy: -5.909 flat angles P-C4'-P energy: -4.126 tors. eta vs tors. theta energy: -4.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -40.728677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.728677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.728677 (E_RNA) where: Base-Base interactions energy: -12.910 where: short stacking energy: -12.910 Base-Backbone interact. energy: -0.000 local terms energy: -27.818815 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.882 flat angles P-C4'-P energy: -4.175 tors. eta vs tors. theta energy: -6.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -44.158697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.158697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.158697 (E_RNA) where: Base-Base interactions energy: -18.251 where: short stacking energy: -18.251 Base-Backbone interact. energy: -0.003 local terms energy: -25.904877 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.994 flat angles P-C4'-P energy: -4.468 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: 6, replica: 9 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -40.246332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.246332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.246332 (E_RNA) where: Base-Base interactions energy: -16.704 where: short stacking energy: -16.704 Base-Backbone interact. energy: -0.002 local terms energy: -23.540119 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -4.635 flat angles P-C4'-P energy: -4.394 tors. eta vs tors. theta energy: -4.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -40.974304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.974304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.974304 (E_RNA) where: Base-Base interactions energy: -19.395 where: short stacking energy: -11.001 Base-Backbone interact. energy: -0.000 local terms energy: -21.579455 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -3.970 flat angles P-C4'-P energy: -4.319 tors. eta vs tors. theta energy: -1.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -40.357576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.357576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.357576 (E_RNA) where: Base-Base interactions energy: -17.830 where: short stacking energy: -17.830 Base-Backbone interact. energy: -0.000 local terms energy: -22.527258 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -5.162 flat angles P-C4'-P energy: -3.038 tors. eta vs tors. theta energy: -2.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -32.586636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.586636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.586636 (E_RNA) where: Base-Base interactions energy: -13.517 where: short stacking energy: -13.517 Base-Backbone interact. energy: -0.000 local terms energy: -19.069574 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -4.463 flat angles C4'-P-C4' energy: -3.881 flat angles P-C4'-P energy: -2.562 tors. eta vs tors. theta energy: -2.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -35.250919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.250919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.250919 (E_RNA) where: Base-Base interactions energy: -14.669 where: short stacking energy: -14.669 Base-Backbone interact. energy: -0.000 local terms energy: -20.581320 where: bonds (distance) C4'-P energy: -3.924 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -4.797 flat angles P-C4'-P energy: -2.151 tors. eta vs tors. theta energy: -2.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -47.087241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.087241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.087241 (E_RNA) where: Base-Base interactions energy: -20.360 where: short stacking energy: -20.360 Base-Backbone interact. energy: -1.439 local terms energy: -25.287670 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -4.751 flat angles C4'-P-C4' energy: -5.377 flat angles P-C4'-P energy: -4.619 tors. eta vs tors. theta energy: -4.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -51.230947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.230947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.230947 (E_RNA) where: Base-Base interactions energy: -25.697 where: short stacking energy: -25.697 Base-Backbone interact. energy: -0.000 local terms energy: -25.533543 where: bonds (distance) C4'-P energy: -3.957 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -4.479 flat angles P-C4'-P energy: -2.993 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: 3, replica: 5 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -41.283195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.283195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.283195 (E_RNA) where: Base-Base interactions energy: -14.478 where: short stacking energy: -14.478 Base-Backbone interact. energy: -0.003 local terms energy: -26.802629 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.849 flat angles P-C4'-P energy: -4.489 tors. eta vs tors. theta energy: -2.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -49.562994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.562994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.562994 (E_RNA) where: Base-Base interactions energy: -21.270 where: short stacking energy: -21.270 Base-Backbone interact. energy: -0.000 local terms energy: -28.292838 where: bonds (distance) C4'-P energy: -5.252 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.534 flat angles P-C4'-P energy: -4.317 tors. eta vs tors. theta energy: -5.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -35.830610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.830610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.830610 (E_RNA) where: Base-Base interactions energy: -12.757 where: short stacking energy: -8.668 Base-Backbone interact. energy: -0.134 local terms energy: -22.938941 where: bonds (distance) C4'-P energy: -3.506 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -6.273 flat angles P-C4'-P energy: -5.240 tors. eta vs tors. theta energy: -1.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -44.044964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.044964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.044964 (E_RNA) where: Base-Base interactions energy: -20.305 where: short stacking energy: -20.305 Base-Backbone interact. energy: -0.000 local terms energy: -23.740334 where: bonds (distance) C4'-P energy: -3.778 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.383 flat angles P-C4'-P energy: -2.510 tors. eta vs tors. theta energy: -6.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -36.671855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.671855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.671855 (E_RNA) where: Base-Base interactions energy: -13.966 where: short stacking energy: -8.812 Base-Backbone interact. energy: -0.119 local terms energy: -22.586639 where: bonds (distance) C4'-P energy: -5.037 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -5.021 flat angles P-C4'-P energy: -5.468 tors. eta vs tors. theta energy: -0.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -30.779106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.779106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.779106 (E_RNA) where: Base-Base interactions energy: -10.072 where: short stacking energy: -10.072 Base-Backbone interact. energy: -0.000 local terms energy: -20.706624 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.872 flat angles P-C4'-P energy: -2.873 tors. eta vs tors. theta energy: -2.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -39.515355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.515355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.515355 (E_RNA) where: Base-Base interactions energy: -13.417 where: short stacking energy: -13.417 Base-Backbone interact. energy: -0.000 local terms energy: -26.098713 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.401 flat angles P-C4'-P energy: -4.421 tors. eta vs tors. theta energy: -3.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -35.743376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.743376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.743376 (E_RNA) where: Base-Base interactions energy: -15.330 where: short stacking energy: -8.991 Base-Backbone interact. energy: -0.983 local terms energy: -19.430326 where: bonds (distance) C4'-P energy: -3.779 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.184 flat angles P-C4'-P energy: -1.501 tors. eta vs tors. theta energy: -2.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -55.119303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.119303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.119303 (E_RNA) where: Base-Base interactions energy: -26.535 where: short stacking energy: -26.535 Base-Backbone interact. energy: -0.000 local terms energy: -28.584160 where: bonds (distance) C4'-P energy: -4.334 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.700 flat angles P-C4'-P energy: -5.100 tors. eta vs tors. theta energy: -6.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -45.283382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.283382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.283382 (E_RNA) where: Base-Base interactions energy: -18.295 where: short stacking energy: -14.031 Base-Backbone interact. energy: -0.703 local terms energy: -26.285023 where: bonds (distance) C4'-P energy: -4.632 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.045 flat angles P-C4'-P energy: -4.938 tors. eta vs tors. theta energy: -4.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -43.240403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.240403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.240403 (E_RNA) where: Base-Base interactions energy: -17.165 where: short stacking energy: -17.099 Base-Backbone interact. energy: -0.002 local terms energy: -26.073275 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.137 flat angles P-C4'-P energy: -4.538 tors. eta vs tors. theta energy: -4.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -39.105956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.105956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.105956 (E_RNA) where: Base-Base interactions energy: -15.328 where: short stacking energy: -15.328 Base-Backbone interact. energy: -0.001 local terms energy: -23.776711 where: bonds (distance) C4'-P energy: -3.646 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -3.802 flat angles P-C4'-P energy: -5.533 tors. eta vs tors. theta energy: -4.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -45.227144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.227144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.227144 (E_RNA) where: Base-Base interactions energy: -22.017 where: short stacking energy: -22.017 Base-Backbone interact. energy: -0.000 local terms energy: -23.210535 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -4.704 flat angles P-C4'-P energy: -2.235 tors. eta vs tors. theta energy: -5.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -32.907813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.907813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.907813 (E_RNA) where: Base-Base interactions energy: -12.487 where: short stacking energy: -10.253 Base-Backbone interact. energy: -0.019 local terms energy: -20.402419 where: bonds (distance) C4'-P energy: -3.150 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -6.459 flat angles P-C4'-P energy: -2.647 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: 7, replica: 9 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -38.005265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.005265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.005265 (E_RNA) where: Base-Base interactions energy: -13.770 where: short stacking energy: -13.770 Base-Backbone interact. energy: -0.000 local terms energy: -24.235339 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -3.074 flat angles C4'-P-C4' energy: -5.868 flat angles P-C4'-P energy: -4.161 tors. eta vs tors. theta energy: -5.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -38.960416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.960416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.960416 (E_RNA) where: Base-Base interactions energy: -16.588 where: short stacking energy: -12.142 Base-Backbone interact. energy: -0.105 local terms energy: -22.266593 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.206 flat angles C4'-P-C4' energy: -4.935 flat angles P-C4'-P energy: -3.515 tors. eta vs tors. theta energy: -1.782 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: 10 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -29.957225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.957225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.957225 (E_RNA) where: Base-Base interactions energy: -13.873 where: short stacking energy: -6.937 Base-Backbone interact. energy: -0.498 local terms energy: -15.585919 where: bonds (distance) C4'-P energy: -3.233 bonds (distance) P-C4' energy: -6.107 flat angles C4'-P-C4' energy: -2.233 flat angles P-C4'-P energy: -3.803 tors. eta vs tors. theta energy: -0.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -28.768313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.768313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.768313 (E_RNA) where: Base-Base interactions energy: -10.291 where: short stacking energy: -10.291 Base-Backbone interact. energy: -0.015 local terms energy: -18.462316 where: bonds (distance) C4'-P energy: -4.318 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -3.738 flat angles P-C4'-P energy: -2.759 tors. eta vs tors. theta energy: -0.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -45.205894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.205894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.205894 (E_RNA) where: Base-Base interactions energy: -19.720 where: short stacking energy: -19.720 Base-Backbone interact. energy: -0.000 local terms energy: -25.486058 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -3.972 flat angles C4'-P-C4' energy: -6.186 flat angles P-C4'-P energy: -5.203 tors. eta vs tors. theta energy: -4.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -45.690888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.690888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.690888 (E_RNA) where: Base-Base interactions energy: -20.744 where: short stacking energy: -20.744 Base-Backbone interact. energy: -0.000 local terms energy: -24.946791 where: bonds (distance) C4'-P energy: -5.393 bonds (distance) P-C4' energy: -5.613 flat angles C4'-P-C4' energy: -5.290 flat angles P-C4'-P energy: -3.543 tors. eta vs tors. theta energy: -5.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -47.095181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.095181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.095181 (E_RNA) where: Base-Base interactions energy: -19.958 where: short stacking energy: -19.958 Base-Backbone interact. energy: -0.002 local terms energy: -27.135302 where: bonds (distance) C4'-P energy: -4.797 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.396 flat angles P-C4'-P energy: -3.879 tors. eta vs tors. theta energy: -6.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -36.706922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.706922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.706922 (E_RNA) where: Base-Base interactions energy: -12.381 where: short stacking energy: -12.381 Base-Backbone interact. energy: -0.003 local terms energy: -24.322464 where: bonds (distance) C4'-P energy: -5.112 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -5.162 flat angles P-C4'-P energy: -4.292 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: 5, replica: 5 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -41.076511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.076511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.076511 (E_RNA) where: Base-Base interactions energy: -17.613 where: short stacking energy: -17.613 Base-Backbone interact. energy: -0.000 local terms energy: -23.463023 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.599 flat angles P-C4'-P energy: -2.621 tors. eta vs tors. theta energy: -4.264 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: 9 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -43.088019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.088019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.088019 (E_RNA) where: Base-Base interactions energy: -18.335 where: short stacking energy: -18.335 Base-Backbone interact. energy: -0.030 local terms energy: -24.722798 where: bonds (distance) C4'-P energy: -4.913 bonds (distance) P-C4' energy: -5.889 flat angles C4'-P-C4' energy: -3.813 flat angles P-C4'-P energy: -4.099 tors. eta vs tors. theta energy: -6.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -35.822922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.822922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.822922 (E_RNA) where: Base-Base interactions energy: -15.964 where: short stacking energy: -8.506 Base-Backbone interact. energy: -0.000 local terms energy: -19.858318 where: bonds (distance) C4'-P energy: -4.292 bonds (distance) P-C4' energy: -4.297 flat angles C4'-P-C4' energy: -4.751 flat angles P-C4'-P energy: -4.262 tors. eta vs tors. theta energy: -2.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -35.763987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.763987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.763987 (E_RNA) where: Base-Base interactions energy: -11.831 where: short stacking energy: -11.831 Base-Backbone interact. energy: -0.001 local terms energy: -23.931542 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -4.355 flat angles P-C4'-P energy: -4.080 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: 227 Temperature: 1.300000 Total energy: -35.690457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.690457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.690457 (E_RNA) where: Base-Base interactions energy: -16.318 where: short stacking energy: -16.318 Base-Backbone interact. energy: -0.000 local terms energy: -19.372107 where: bonds (distance) C4'-P energy: -2.091 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -2.544 flat angles P-C4'-P energy: -4.009 tors. eta vs tors. theta energy: -4.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -28.933132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.933132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.933132 (E_RNA) where: Base-Base interactions energy: -10.005 where: short stacking energy: -10.005 Base-Backbone interact. energy: -0.080 local terms energy: -18.847994 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -4.134 flat angles P-C4'-P energy: -2.433 tors. eta vs tors. theta energy: -0.237 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: 1, replica: 4 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -49.799291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.799291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.799291 (E_RNA) where: Base-Base interactions energy: -23.060 where: short stacking energy: -22.637 Base-Backbone interact. energy: -0.000 local terms energy: -26.739314 where: bonds (distance) C4'-P energy: -4.690 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.974 flat angles P-C4'-P energy: -5.331 tors. eta vs tors. theta energy: -4.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -50.055355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.055355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.055355 (E_RNA) where: Base-Base interactions energy: -23.102 where: short stacking energy: -23.102 Base-Backbone interact. energy: -0.000 local terms energy: -26.953646 where: bonds (distance) C4'-P energy: -5.096 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -6.328 flat angles P-C4'-P energy: -4.870 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: 3, replica: 3 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -45.814489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.814489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.814489 (E_RNA) where: Base-Base interactions energy: -24.300 where: short stacking energy: -14.080 Base-Backbone interact. energy: -0.009 local terms energy: -21.505393 where: bonds (distance) C4'-P energy: -2.297 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.621 flat angles P-C4'-P energy: -3.909 tors. eta vs tors. theta energy: -2.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -38.473049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.473049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.473049 (E_RNA) where: Base-Base interactions energy: -17.891 where: short stacking energy: -17.891 Base-Backbone interact. energy: -0.099 local terms energy: -20.482699 where: bonds (distance) C4'-P energy: -3.510 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.480 flat angles P-C4'-P energy: -2.178 tors. eta vs tors. theta energy: -2.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -34.403833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.403833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.403833 (E_RNA) where: Base-Base interactions energy: -11.583 where: short stacking energy: -11.437 Base-Backbone interact. energy: -0.039 local terms energy: -22.782176 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -4.261 flat angles C4'-P-C4' energy: -6.133 flat angles P-C4'-P energy: -3.369 tors. eta vs tors. theta energy: -3.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -36.531434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.531434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.531434 (E_RNA) where: Base-Base interactions energy: -13.781 where: short stacking energy: -12.434 Base-Backbone interact. energy: -0.000 local terms energy: -22.750648 where: bonds (distance) C4'-P energy: -6.263 bonds (distance) P-C4' energy: -3.613 flat angles C4'-P-C4' energy: -5.658 flat angles P-C4'-P energy: -2.697 tors. eta vs tors. theta energy: -4.519 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: 228 Temperature: 1.200000 Total energy: -52.519757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.519757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.519757 (E_RNA) where: Base-Base interactions energy: -22.249 where: short stacking energy: -22.249 Base-Backbone interact. energy: -0.000 local terms energy: -30.270402 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.602 flat angles P-C4'-P energy: -4.679 tors. eta vs tors. theta energy: -7.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -28.057626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.057626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.057626 (E_RNA) where: Base-Base interactions energy: -8.337 where: short stacking energy: -8.180 Base-Backbone interact. energy: -0.016 local terms energy: -19.703805 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -3.003 flat angles P-C4'-P energy: -0.994 tors. eta vs tors. theta energy: -4.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -39.384260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.384260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.384260 (E_RNA) where: Base-Base interactions energy: -15.374 where: short stacking energy: -15.374 Base-Backbone interact. energy: -0.000 local terms energy: -24.010303 where: bonds (distance) C4'-P energy: -4.471 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -5.920 flat angles P-C4'-P energy: -5.281 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: 10, replica: 7 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -29.497006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.497006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.497006 (E_RNA) where: Base-Base interactions energy: -15.340 where: short stacking energy: -6.649 Base-Backbone interact. energy: -0.000 local terms energy: -14.157284 where: bonds (distance) C4'-P energy: -4.223 bonds (distance) P-C4' energy: -3.794 flat angles C4'-P-C4' energy: -4.689 flat angles P-C4'-P energy: -1.352 tors. eta vs tors. theta energy: -0.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -52.204681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.204681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.204681 (E_RNA) where: Base-Base interactions energy: -23.020 where: short stacking energy: -23.020 Base-Backbone interact. energy: -0.000 local terms energy: -29.185016 where: bonds (distance) C4'-P energy: -5.117 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.622 flat angles P-C4'-P energy: -4.455 tors. eta vs tors. theta energy: -6.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -43.586657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.586657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.586657 (E_RNA) where: Base-Base interactions energy: -16.994 where: short stacking energy: -14.872 Base-Backbone interact. energy: -0.001 local terms energy: -26.592493 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.554 flat angles P-C4'-P energy: -3.894 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: 3, replica: 2 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -46.439412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.439412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.439412 (E_RNA) where: Base-Base interactions energy: -21.858 where: short stacking energy: -21.858 Base-Backbone interact. energy: -0.023 local terms energy: -24.558172 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -5.816 flat angles P-C4'-P energy: -3.754 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: 4, replica: 9 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -39.398348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.398348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.398348 (E_RNA) where: Base-Base interactions energy: -15.801 where: short stacking energy: -15.801 Base-Backbone interact. energy: -0.008 local terms energy: -23.589515 where: bonds (distance) C4'-P energy: -4.090 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.538 flat angles P-C4'-P energy: -3.934 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: 5, replica: 8 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -35.914386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.914386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.914386 (E_RNA) where: Base-Base interactions energy: -12.838 where: short stacking energy: -11.099 Base-Backbone interact. energy: -0.002 local terms energy: -23.075126 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -3.056 flat angles P-C4'-P energy: -4.940 tors. eta vs tors. theta energy: -2.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -45.959957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.959957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.959957 (E_RNA) where: Base-Base interactions energy: -21.165 where: short stacking energy: -21.165 Base-Backbone interact. energy: -0.000 local terms energy: -24.794900 where: bonds (distance) C4'-P energy: -4.980 bonds (distance) P-C4' energy: -5.438 flat angles C4'-P-C4' energy: -4.524 flat angles P-C4'-P energy: -4.195 tors. eta vs tors. theta energy: -5.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -41.208134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.208134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.208134 (E_RNA) where: Base-Base interactions energy: -15.258 where: short stacking energy: -15.258 Base-Backbone interact. energy: -0.000 local terms energy: -25.950074 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.619 flat angles P-C4'-P energy: -3.753 tors. eta vs tors. theta energy: -5.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -36.982700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.982700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.982700 (E_RNA) where: Base-Base interactions energy: -12.230 where: short stacking energy: -12.230 Base-Backbone interact. energy: -0.000 local terms energy: -24.751807 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -5.694 flat angles P-C4'-P energy: -4.905 tors. eta vs tors. theta energy: -1.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -37.633423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.633423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.633423 (E_RNA) where: Base-Base interactions energy: -17.564 where: short stacking energy: -17.564 Base-Backbone interact. energy: -0.008 local terms energy: -20.061440 where: bonds (distance) C4'-P energy: -4.376 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.048 flat angles P-C4'-P energy: -1.914 tors. eta vs tors. theta energy: -2.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -34.380864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.380864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.380864 (E_RNA) where: Base-Base interactions energy: -15.747 where: short stacking energy: -12.798 Base-Backbone interact. energy: -0.332 local terms energy: -18.301567 where: bonds (distance) C4'-P energy: -0.654 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -6.082 flat angles P-C4'-P energy: -3.127 tors. eta vs tors. theta energy: -1.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -55.591954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.591954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.591954 (E_RNA) where: Base-Base interactions energy: -36.605 where: short stacking energy: -16.473 Base-Backbone interact. energy: -0.036 local terms energy: -18.951524 where: bonds (distance) C4'-P energy: -3.709 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -4.777 flat angles P-C4'-P energy: -3.231 tors. eta vs tors. theta energy: -1.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -51.052496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.052496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.052496 (E_RNA) where: Base-Base interactions energy: -26.044 where: short stacking energy: -26.044 Base-Backbone interact. energy: -0.000 local terms energy: -25.008392 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -5.576 flat angles C4'-P-C4' energy: -5.189 flat angles P-C4'-P energy: -3.454 tors. eta vs tors. theta energy: -6.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -46.945619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.945619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.945619 (E_RNA) where: Base-Base interactions energy: -18.932 where: short stacking energy: -18.932 Base-Backbone interact. energy: -0.000 local terms energy: -28.013537 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -5.799 flat angles P-C4'-P energy: -3.777 tors. eta vs tors. theta energy: -6.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -50.509840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.509840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.509840 (E_RNA) where: Base-Base interactions energy: -24.114 where: short stacking energy: -24.114 Base-Backbone interact. energy: -0.000 local terms energy: -26.396242 where: bonds (distance) C4'-P energy: -4.727 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -6.272 flat angles P-C4'-P energy: -3.240 tors. eta vs tors. theta energy: -5.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -42.249089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.249089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.249089 (E_RNA) where: Base-Base interactions energy: -19.147 where: short stacking energy: -17.316 Base-Backbone interact. energy: -0.000 local terms energy: -23.101594 where: bonds (distance) C4'-P energy: -4.090 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -5.343 flat angles P-C4'-P energy: -2.727 tors. eta vs tors. theta energy: -4.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -39.576943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.576943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.576943 (E_RNA) where: Base-Base interactions energy: -17.643 where: short stacking energy: -17.643 Base-Backbone interact. energy: -0.002 local terms energy: -21.931658 where: bonds (distance) C4'-P energy: -3.149 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.106 flat angles P-C4'-P energy: -3.611 tors. eta vs tors. theta energy: -4.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -40.228376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.228376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.228376 (E_RNA) where: Base-Base interactions energy: -17.474 where: short stacking energy: -13.260 Base-Backbone interact. energy: -0.056 local terms energy: -22.697730 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -5.460 flat angles P-C4'-P energy: -2.474 tors. eta vs tors. theta energy: -3.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -37.969146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.969146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.969146 (E_RNA) where: Base-Base interactions energy: -15.378 where: short stacking energy: -15.378 Base-Backbone interact. energy: -0.004 local terms energy: -22.586799 where: bonds (distance) C4'-P energy: -4.985 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -3.554 flat angles P-C4'-P energy: -3.146 tors. eta vs tors. theta energy: -4.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -40.955042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.955042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.955042 (E_RNA) where: Base-Base interactions energy: -18.418 where: short stacking energy: -18.418 Base-Backbone interact. energy: -0.000 local terms energy: -22.537047 where: bonds (distance) C4'-P energy: -3.634 bonds (distance) P-C4' energy: -4.085 flat angles C4'-P-C4' energy: -5.696 flat angles P-C4'-P energy: -4.228 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: 10, replica: 7 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -36.451735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.451735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.451735 (E_RNA) where: Base-Base interactions energy: -16.014 where: short stacking energy: -14.389 Base-Backbone interact. energy: -0.003 local terms energy: -20.434524 where: bonds (distance) C4'-P energy: -5.435 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -6.042 flat angles P-C4'-P energy: -4.266 tors. eta vs tors. theta energy: 1.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -47.800162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.800162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.800162 (E_RNA) where: Base-Base interactions energy: -19.900 where: short stacking energy: -19.900 Base-Backbone interact. energy: -0.000 local terms energy: -27.899666 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.010 flat angles P-C4'-P energy: -4.537 tors. eta vs tors. theta energy: -5.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -46.217400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.217400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.217400 (E_RNA) where: Base-Base interactions energy: -21.702 where: short stacking energy: -21.702 Base-Backbone interact. energy: -0.000 local terms energy: -24.515338 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -5.840 flat angles C4'-P-C4' energy: -4.742 flat angles P-C4'-P energy: -3.114 tors. eta vs tors. theta energy: -5.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -47.815117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.815117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.815117 (E_RNA) where: Base-Base interactions energy: -24.227 where: short stacking energy: -24.227 Base-Backbone interact. energy: -0.000 local terms energy: -23.587883 where: bonds (distance) C4'-P energy: -3.387 bonds (distance) P-C4' energy: -6.361 flat angles C4'-P-C4' energy: -5.244 flat angles P-C4'-P energy: -2.625 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: 4, replica: 10 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -44.915385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.915385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.915385 (E_RNA) where: Base-Base interactions energy: -19.722 where: short stacking energy: -19.722 Base-Backbone interact. energy: -0.001 local terms energy: -25.191889 where: bonds (distance) C4'-P energy: -4.755 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.147 flat angles P-C4'-P energy: -4.055 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: 5, replica: 2 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -50.861626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.861626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.861626 (E_RNA) where: Base-Base interactions energy: -22.839 where: short stacking energy: -22.839 Base-Backbone interact. energy: -0.000 local terms energy: -28.022316 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -5.150 flat angles C4'-P-C4' energy: -6.804 flat angles P-C4'-P energy: -2.859 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: 6 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -44.591837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.591837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.591837 (E_RNA) where: Base-Base interactions energy: -18.916 where: short stacking energy: -18.916 Base-Backbone interact. energy: -0.000 local terms energy: -25.675719 where: bonds (distance) C4'-P energy: -4.081 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.180 flat angles P-C4'-P energy: -4.098 tors. eta vs tors. theta energy: -6.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -32.538860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.538860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.538860 (E_RNA) where: Base-Base interactions energy: -8.861 where: short stacking energy: -8.861 Base-Backbone interact. energy: -0.008 local terms energy: -23.670150 where: bonds (distance) C4'-P energy: -4.864 bonds (distance) P-C4' energy: -5.541 flat angles C4'-P-C4' energy: -5.338 flat angles P-C4'-P energy: -5.162 tors. eta vs tors. theta energy: -2.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -32.984529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.984529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.984529 (E_RNA) where: Base-Base interactions energy: -14.956 where: short stacking energy: -10.490 Base-Backbone interact. energy: 1.235 local terms energy: -19.263121 where: bonds (distance) C4'-P energy: -5.252 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -1.862 flat angles P-C4'-P energy: -3.779 tors. eta vs tors. theta energy: -2.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -32.769096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.769096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.769096 (E_RNA) where: Base-Base interactions energy: -13.002 where: short stacking energy: -13.002 Base-Backbone interact. energy: -0.000 local terms energy: -19.766657 where: bonds (distance) C4'-P energy: -4.044 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -4.019 flat angles P-C4'-P energy: -4.702 tors. eta vs tors. theta energy: -1.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -38.483073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.483073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.483073 (E_RNA) where: Base-Base interactions energy: -20.344 where: short stacking energy: -16.582 Base-Backbone interact. energy: -0.000 local terms energy: -18.138825 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -3.162 flat angles C4'-P-C4' energy: -3.796 flat angles P-C4'-P energy: -1.206 tors. eta vs tors. theta energy: -5.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -47.021362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.021362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.021362 (E_RNA) where: Base-Base interactions energy: -22.373 where: short stacking energy: -22.373 Base-Backbone interact. energy: -0.000 local terms energy: -24.647920 where: bonds (distance) C4'-P energy: -4.807 bonds (distance) P-C4' energy: -6.125 flat angles C4'-P-C4' energy: -5.983 flat angles P-C4'-P energy: -2.872 tors. eta vs tors. theta energy: -4.862 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: 3 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -51.033807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.033807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.033807 (E_RNA) where: Base-Base interactions energy: -23.262 where: short stacking energy: -23.262 Base-Backbone interact. energy: -0.000 local terms energy: -27.771511 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -6.400 flat angles P-C4'-P energy: -3.968 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: 3, replica: 4 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -43.160342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.160342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.160342 (E_RNA) where: Base-Base interactions energy: -17.864 where: short stacking energy: -17.864 Base-Backbone interact. energy: -0.000 local terms energy: -25.296573 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.114 flat angles P-C4'-P energy: -4.816 tors. eta vs tors. theta energy: -3.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -47.194246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.194246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.194246 (E_RNA) where: Base-Base interactions energy: -28.561 where: short stacking energy: -19.944 Base-Backbone interact. energy: -0.111 local terms energy: -18.521968 where: bonds (distance) C4'-P energy: -5.510 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -4.416 flat angles P-C4'-P energy: -0.634 tors. eta vs tors. theta energy: -1.977 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: 6 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -33.579822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.579822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.579822 (E_RNA) where: Base-Base interactions energy: -11.925 where: short stacking energy: -11.925 Base-Backbone interact. energy: -0.100 local terms energy: -21.555026 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -4.760 flat angles P-C4'-P energy: -3.226 tors. eta vs tors. theta energy: -2.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -39.262632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.262632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.262632 (E_RNA) where: Base-Base interactions energy: -15.643 where: short stacking energy: -15.643 Base-Backbone interact. energy: -0.000 local terms energy: -23.619489 where: bonds (distance) C4'-P energy: -3.618 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -3.999 flat angles P-C4'-P energy: -5.033 tors. eta vs tors. theta energy: -4.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -36.508479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.508479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.508479 (E_RNA) where: Base-Base interactions energy: -16.413 where: short stacking energy: -9.966 Base-Backbone interact. energy: -0.008 local terms energy: -20.087232 where: bonds (distance) C4'-P energy: -3.494 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -6.132 flat angles P-C4'-P energy: -3.845 tors. eta vs tors. theta energy: -0.203 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: 8, replica: 8 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -34.907692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.907692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.907692 (E_RNA) where: Base-Base interactions energy: -16.613 where: short stacking energy: -7.937 Base-Backbone interact. energy: -0.244 local terms energy: -18.050362 where: bonds (distance) C4'-P energy: -4.288 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.172 flat angles P-C4'-P energy: -4.857 tors. eta vs tors. theta energy: 1.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -36.523733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.523733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.523733 (E_RNA) where: Base-Base interactions energy: -14.767 where: short stacking energy: -14.767 Base-Backbone interact. energy: -0.019 local terms energy: -21.737787 where: bonds (distance) C4'-P energy: -4.337 bonds (distance) P-C4' energy: -4.364 flat angles C4'-P-C4' energy: -5.361 flat angles P-C4'-P energy: -4.195 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: 10, replica: 5 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -34.056898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.056898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.056898 (E_RNA) where: Base-Base interactions energy: -16.149 where: short stacking energy: -16.149 Base-Backbone interact. energy: -0.000 local terms energy: -17.908338 where: bonds (distance) C4'-P energy: -5.038 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -1.882 flat angles P-C4'-P energy: -2.791 tors. eta vs tors. theta energy: -2.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -45.342412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.342412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.342412 (E_RNA) where: Base-Base interactions energy: -21.029 where: short stacking energy: -12.040 Base-Backbone interact. energy: -0.008 local terms energy: -24.304830 where: bonds (distance) C4'-P energy: -4.603 bonds (distance) P-C4' energy: -6.206 flat angles C4'-P-C4' energy: -6.435 flat angles P-C4'-P energy: -2.921 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: 2, replica: 4 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -40.154393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.154393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.154393 (E_RNA) where: Base-Base interactions energy: -14.789 where: short stacking energy: -14.789 Base-Backbone interact. energy: -0.006 local terms energy: -25.359532 where: bonds (distance) C4'-P energy: -5.128 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.267 flat angles P-C4'-P energy: -4.675 tors. eta vs tors. theta energy: -3.618 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: 3, replica: 3 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -42.482315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.482315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.482315 (E_RNA) where: Base-Base interactions energy: -18.021 where: short stacking energy: -16.978 Base-Backbone interact. energy: -0.903 local terms energy: -23.558108 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -4.766 flat angles P-C4'-P energy: -2.750 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: 4, replica: 6 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -35.559753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.559753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.559753 (E_RNA) where: Base-Base interactions energy: -13.720 where: short stacking energy: -12.353 Base-Backbone interact. energy: -0.738 local terms energy: -21.102579 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.588 flat angles P-C4'-P energy: -1.532 tors. eta vs tors. theta energy: -2.999 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: 10 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -38.264227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.264227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.264227 (E_RNA) where: Base-Base interactions energy: -19.087 where: short stacking energy: -17.675 Base-Backbone interact. energy: -0.022 local terms energy: -19.155289 where: bonds (distance) C4'-P energy: -0.715 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -4.849 flat angles P-C4'-P energy: -3.870 tors. eta vs tors. theta energy: -3.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -37.123710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.123710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.123710 (E_RNA) where: Base-Base interactions energy: -13.848 where: short stacking energy: -12.646 Base-Backbone interact. energy: -0.294 local terms energy: -22.981234 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.694 flat angles P-C4'-P energy: -2.944 tors. eta vs tors. theta energy: -1.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -36.848957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.848957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.848957 (E_RNA) where: Base-Base interactions energy: -14.488 where: short stacking energy: -14.488 Base-Backbone interact. energy: -0.000 local terms energy: -22.360158 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -5.184 flat angles P-C4'-P energy: -4.717 tors. eta vs tors. theta energy: -2.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -42.670394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.670394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.670394 (E_RNA) where: Base-Base interactions energy: -17.690 where: short stacking energy: -17.690 Base-Backbone interact. energy: -0.000 local terms energy: -24.980483 where: bonds (distance) C4'-P energy: -5.360 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -4.030 flat angles P-C4'-P energy: -4.415 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: 9, replica: 8 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -38.517857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.517857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.517857 (E_RNA) where: Base-Base interactions energy: -18.517 where: short stacking energy: -18.517 Base-Backbone interact. energy: -0.000 local terms energy: -20.001088 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -5.103 flat angles C4'-P-C4' energy: -4.385 flat angles P-C4'-P energy: -2.560 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: 5 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -32.672014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.672014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.672014 (E_RNA) where: Base-Base interactions energy: -12.239 where: short stacking energy: -12.239 Base-Backbone interact. energy: -0.000 local terms energy: -20.432580 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -5.668 flat angles C4'-P-C4' energy: -4.196 flat angles P-C4'-P energy: -4.251 tors. eta vs tors. theta energy: -1.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -50.257668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.257668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.257668 (E_RNA) where: Base-Base interactions energy: -22.657 where: short stacking energy: -22.657 Base-Backbone interact. energy: -0.000 local terms energy: -27.600847 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.117 flat angles P-C4'-P energy: -3.598 tors. eta vs tors. theta energy: -6.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -45.677799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.677799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.677799 (E_RNA) where: Base-Base interactions energy: -20.242 where: short stacking energy: -16.095 Base-Backbone interact. energy: -2.048 local terms energy: -23.387919 where: bonds (distance) C4'-P energy: -4.764 bonds (distance) P-C4' energy: -5.441 flat angles C4'-P-C4' energy: -6.032 flat angles P-C4'-P energy: -4.347 tors. eta vs tors. theta energy: -2.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -54.497492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.497492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.497492 (E_RNA) where: Base-Base interactions energy: -35.901 where: short stacking energy: -14.889 Base-Backbone interact. energy: 0.731 local terms energy: -19.328027 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -4.424 flat angles P-C4'-P energy: -2.105 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: 4, replica: 3 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -39.328044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.328044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.328044 (E_RNA) where: Base-Base interactions energy: -12.467 where: short stacking energy: -12.467 Base-Backbone interact. energy: -0.023 local terms energy: -26.838575 where: bonds (distance) C4'-P energy: -5.543 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.357 flat angles P-C4'-P energy: -5.083 tors. eta vs tors. theta energy: -2.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -44.610978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.610978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.610978 (E_RNA) where: Base-Base interactions energy: -20.003 where: short stacking energy: -20.003 Base-Backbone interact. energy: -0.085 local terms energy: -24.523051 where: bonds (distance) C4'-P energy: -5.244 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -5.580 flat angles P-C4'-P energy: -3.604 tors. eta vs tors. theta energy: -3.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -43.110477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.110477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.110477 (E_RNA) where: Base-Base interactions energy: -22.500 where: short stacking energy: -22.500 Base-Backbone interact. energy: -0.098 local terms energy: -20.513139 where: bonds (distance) C4'-P energy: -3.634 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.777 flat angles P-C4'-P energy: -0.608 tors. eta vs tors. theta energy: -4.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -39.215836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.215836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.215836 (E_RNA) where: Base-Base interactions energy: -15.440 where: short stacking energy: -15.440 Base-Backbone interact. energy: -0.114 local terms energy: -23.662009 where: bonds (distance) C4'-P energy: -4.140 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -6.608 flat angles P-C4'-P energy: -2.394 tors. eta vs tors. theta energy: -4.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -38.845984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.845984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.845984 (E_RNA) where: Base-Base interactions energy: -15.882 where: short stacking energy: -15.882 Base-Backbone interact. energy: -0.000 local terms energy: -22.963755 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -3.575 flat angles P-C4'-P energy: -3.785 tors. eta vs tors. theta energy: -3.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -31.749090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.749090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.749090 (E_RNA) where: Base-Base interactions energy: -7.286 where: short stacking energy: -7.286 Base-Backbone interact. energy: -0.059 local terms energy: -24.403748 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -4.915 flat angles P-C4'-P energy: -5.336 tors. eta vs tors. theta energy: -1.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -31.484438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.484438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.484438 (E_RNA) where: Base-Base interactions energy: -12.587 where: short stacking energy: -12.587 Base-Backbone interact. energy: -0.000 local terms energy: -18.897142 where: bonds (distance) C4'-P energy: -3.013 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -2.264 flat angles P-C4'-P energy: -4.578 tors. eta vs tors. theta energy: -2.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -55.932038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.932038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.932038 (E_RNA) where: Base-Base interactions energy: -25.736 where: short stacking energy: -25.736 Base-Backbone interact. energy: -0.000 local terms energy: -30.196216 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.876 flat angles P-C4'-P energy: -4.276 tors. eta vs tors. theta energy: -7.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -62.720930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.720930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.720930 (E_RNA) where: Base-Base interactions energy: -39.174 where: short stacking energy: -19.087 Base-Backbone interact. energy: -0.005 local terms energy: -23.542077 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.951 flat angles P-C4'-P energy: -2.971 tors. eta vs tors. theta energy: -2.305 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: 4 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -43.585065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.585065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.585065 (E_RNA) where: Base-Base interactions energy: -19.049 where: short stacking energy: -19.049 Base-Backbone interact. energy: -0.000 local terms energy: -24.536425 where: bonds (distance) C4'-P energy: -4.213 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.611 flat angles P-C4'-P energy: -3.871 tors. eta vs tors. theta energy: -4.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -47.252127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.252127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.252127 (E_RNA) where: Base-Base interactions energy: -21.051 where: short stacking energy: -21.051 Base-Backbone interact. energy: -0.000 local terms energy: -26.201279 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -3.857 flat angles P-C4'-P energy: -4.320 tors. eta vs tors. theta energy: -6.988 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: 5, replica: 3 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -36.730554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.730554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.730554 (E_RNA) where: Base-Base interactions energy: -15.662 where: short stacking energy: -11.845 Base-Backbone interact. energy: -0.015 local terms energy: -21.053660 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -3.347 flat angles P-C4'-P energy: -3.021 tors. eta vs tors. theta energy: -3.556 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: 7 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -37.560978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.560978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.560978 (E_RNA) where: Base-Base interactions energy: -12.909 where: short stacking energy: -12.909 Base-Backbone interact. energy: -0.026 local terms energy: -24.626401 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.358 flat angles C4'-P-C4' energy: -4.569 flat angles P-C4'-P energy: -5.295 tors. eta vs tors. theta energy: -2.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -39.308698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.308698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.308698 (E_RNA) where: Base-Base interactions energy: -13.430 where: short stacking energy: -13.430 Base-Backbone interact. energy: -0.003 local terms energy: -25.875421 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.324 flat angles P-C4'-P energy: -4.307 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: 8, replica: 5 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -33.833027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.833027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.833027 (E_RNA) where: Base-Base interactions energy: -10.839 where: short stacking energy: -10.839 Base-Backbone interact. energy: -0.344 local terms energy: -22.650779 where: bonds (distance) C4'-P energy: -4.570 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -3.579 flat angles P-C4'-P energy: -3.625 tors. eta vs tors. theta energy: -4.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -30.000177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.000177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.000177 (E_RNA) where: Base-Base interactions energy: -13.794 where: short stacking energy: -6.242 Base-Backbone interact. energy: -0.000 local terms energy: -16.205753 where: bonds (distance) C4'-P energy: -3.689 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -3.908 flat angles P-C4'-P energy: -1.344 tors. eta vs tors. theta energy: -1.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -32.395688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.395688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.395688 (E_RNA) where: Base-Base interactions energy: -9.134 where: short stacking energy: -9.134 Base-Backbone interact. energy: -0.000 local terms energy: -23.260971 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -5.575 flat angles P-C4'-P energy: -3.235 tors. eta vs tors. theta energy: -2.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -63.719539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.719539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.719539 (E_RNA) where: Base-Base interactions energy: -41.693 where: short stacking energy: -18.392 Base-Backbone interact. energy: -0.004 local terms energy: -22.022850 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -6.343 flat angles P-C4'-P energy: -2.478 tors. eta vs tors. theta energy: -1.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -44.609086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.609086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.609086 (E_RNA) where: Base-Base interactions energy: -18.751 where: short stacking energy: -18.751 Base-Backbone interact. energy: -0.019 local terms energy: -25.838947 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -4.843 flat angles P-C4'-P energy: -4.311 tors. eta vs tors. theta energy: -4.494 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: 3, replica: 1 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -43.609177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.609177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.609177 (E_RNA) where: Base-Base interactions energy: -18.933 where: short stacking energy: -18.933 Base-Backbone interact. energy: -0.000 local terms energy: -24.676648 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -4.145 flat angles P-C4'-P energy: -3.730 tors. eta vs tors. theta energy: -4.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -45.806450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.806450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.806450 (E_RNA) where: Base-Base interactions energy: -21.064 where: short stacking energy: -16.578 Base-Backbone interact. energy: -0.001 local terms energy: -24.741898 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -6.236 flat angles P-C4'-P energy: -4.248 tors. eta vs tors. theta energy: -2.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -41.216880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.216880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.216880 (E_RNA) where: Base-Base interactions energy: -17.148 where: short stacking energy: -17.148 Base-Backbone interact. energy: -0.000 local terms energy: -24.069358 where: bonds (distance) C4'-P energy: -5.783 bonds (distance) P-C4' energy: -4.064 flat angles C4'-P-C4' energy: -4.647 flat angles P-C4'-P energy: -5.007 tors. eta vs tors. theta energy: -4.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -36.381611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.381611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.381611 (E_RNA) where: Base-Base interactions energy: -12.737 where: short stacking energy: -12.737 Base-Backbone interact. energy: -0.000 local terms energy: -23.644445 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -5.283 flat angles P-C4'-P energy: -2.957 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: 7, replica: 5 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -34.753413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.753413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.753413 (E_RNA) where: Base-Base interactions energy: -15.383 where: short stacking energy: -15.383 Base-Backbone interact. energy: -0.000 local terms energy: -19.370208 where: bonds (distance) C4'-P energy: -4.619 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -2.902 flat angles P-C4'-P energy: -2.540 tors. eta vs tors. theta energy: -2.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -37.095569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.095569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.095569 (E_RNA) where: Base-Base interactions energy: -14.894 where: short stacking energy: -14.894 Base-Backbone interact. energy: -0.009 local terms energy: -22.192857 where: bonds (distance) C4'-P energy: -4.807 bonds (distance) P-C4' energy: -5.674 flat angles C4'-P-C4' energy: -3.879 flat angles P-C4'-P energy: -3.830 tors. eta vs tors. theta energy: -4.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -37.266752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.266752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.266752 (E_RNA) where: Base-Base interactions energy: -15.302 where: short stacking energy: -15.302 Base-Backbone interact. energy: -0.007 local terms energy: -21.957575 where: bonds (distance) C4'-P energy: -2.773 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -4.584 flat angles P-C4'-P energy: -4.015 tors. eta vs tors. theta energy: -3.703 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: 10, replica: 2 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -32.971348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.971348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.971348 (E_RNA) where: Base-Base interactions energy: -10.434 where: short stacking energy: -7.516 Base-Backbone interact. energy: -0.204 local terms energy: -22.333647 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -5.864 flat angles C4'-P-C4' energy: -6.646 flat angles P-C4'-P energy: -3.296 tors. eta vs tors. theta energy: -1.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -65.943169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.943169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.943169 (E_RNA) where: Base-Base interactions energy: -41.736 where: short stacking energy: -18.033 Base-Backbone interact. energy: -0.008 local terms energy: -24.199682 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -6.146 flat angles P-C4'-P energy: -4.146 tors. eta vs tors. theta energy: -2.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -48.119962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.119962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.119962 (E_RNA) where: Base-Base interactions energy: -29.992 where: short stacking energy: -8.525 Base-Backbone interact. energy: -0.021 local terms energy: -18.106821 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -2.779 flat angles C4'-P-C4' energy: -3.712 flat angles P-C4'-P energy: -4.824 tors. eta vs tors. theta energy: -0.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -47.043182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.043182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.043182 (E_RNA) where: Base-Base interactions energy: -21.794 where: short stacking energy: -21.794 Base-Backbone interact. energy: -0.000 local terms energy: -25.249524 where: bonds (distance) C4'-P energy: -5.100 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.100 flat angles P-C4'-P energy: -3.273 tors. eta vs tors. theta energy: -4.366 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: 237 Temperature: 1.050000 Total energy: -41.900055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.900055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.900055 (E_RNA) where: Base-Base interactions energy: -17.791 where: short stacking energy: -17.791 Base-Backbone interact. energy: -0.000 local terms energy: -24.109011 where: bonds (distance) C4'-P energy: -4.877 bonds (distance) P-C4' energy: -4.910 flat angles C4'-P-C4' energy: -4.887 flat angles P-C4'-P energy: -3.507 tors. eta vs tors. theta energy: -5.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -42.704987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.704987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.704987 (E_RNA) where: Base-Base interactions energy: -23.143 where: short stacking energy: -15.966 Base-Backbone interact. energy: -0.087 local terms energy: -19.475392 where: bonds (distance) C4'-P energy: -4.619 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -3.567 flat angles P-C4'-P energy: -4.410 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: 6, replica: 5 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -36.629896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.629896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.629896 (E_RNA) where: Base-Base interactions energy: -14.164 where: short stacking energy: -14.164 Base-Backbone interact. energy: -0.002 local terms energy: -22.463797 where: bonds (distance) C4'-P energy: -4.037 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -5.241 flat angles P-C4'-P energy: -2.527 tors. eta vs tors. theta energy: -4.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -38.459274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.459274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.459274 (E_RNA) where: Base-Base interactions energy: -18.551 where: short stacking energy: -15.495 Base-Backbone interact. energy: -0.006 local terms energy: -19.902213 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -2.530 flat angles P-C4'-P energy: -3.419 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: 8, replica: 8 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -34.970254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.970254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.970254 (E_RNA) where: Base-Base interactions energy: -16.246 where: short stacking energy: -13.343 Base-Backbone interact. energy: -0.000 local terms energy: -18.723840 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -2.263 flat angles P-C4'-P energy: -3.410 tors. eta vs tors. theta energy: -2.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -32.629508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.629508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.629508 (E_RNA) where: Base-Base interactions energy: -15.245 where: short stacking energy: -12.246 Base-Backbone interact. energy: -0.000 local terms energy: -17.384706 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -1.918 flat angles C4'-P-C4' energy: -4.132 flat angles P-C4'-P energy: -1.666 tors. eta vs tors. theta energy: -3.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -31.604596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.604596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.604596 (E_RNA) where: Base-Base interactions energy: -12.286 where: short stacking energy: -9.818 Base-Backbone interact. energy: -0.557 local terms energy: -18.761038 where: bonds (distance) C4'-P energy: -3.701 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.560 flat angles P-C4'-P energy: -3.296 tors. eta vs tors. theta energy: -0.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -49.400743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.400743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.400743 (E_RNA) where: Base-Base interactions energy: -24.099 where: short stacking energy: -13.348 Base-Backbone interact. energy: -0.038 local terms energy: -25.263164 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.353 flat angles P-C4'-P energy: -4.898 tors. eta vs tors. theta energy: -3.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -60.496874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.496874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.496874 (E_RNA) where: Base-Base interactions energy: -36.529 where: short stacking energy: -17.442 Base-Backbone interact. energy: -0.051 local terms energy: -23.916708 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -6.572 flat angles P-C4'-P energy: -3.743 tors. eta vs tors. theta energy: -1.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -42.076352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.076352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.076352 (E_RNA) where: Base-Base interactions energy: -18.547 where: short stacking energy: -12.539 Base-Backbone interact. energy: -0.124 local terms energy: -23.405346 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -5.631 flat angles C4'-P-C4' energy: -5.114 flat angles P-C4'-P energy: -3.567 tors. eta vs tors. theta energy: -4.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -40.176248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.176248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.176248 (E_RNA) where: Base-Base interactions energy: -19.026 where: short stacking energy: -14.064 Base-Backbone interact. energy: -0.166 local terms energy: -20.984522 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -5.622 flat angles P-C4'-P energy: 0.256 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: 5, replica: 5 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -34.688804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.688804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.688804 (E_RNA) where: Base-Base interactions energy: -14.035 where: short stacking energy: -9.627 Base-Backbone interact. energy: -0.034 local terms energy: -20.619336 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -3.646 flat angles P-C4'-P energy: -2.197 tors. eta vs tors. theta energy: -2.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -33.600003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.600003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.600003 (E_RNA) where: Base-Base interactions energy: -12.205 where: short stacking energy: -8.784 Base-Backbone interact. energy: -0.438 local terms energy: -20.956619 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.377 flat angles P-C4'-P energy: -4.037 tors. eta vs tors. theta energy: 1.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -38.843703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.843703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.843703 (E_RNA) where: Base-Base interactions energy: -14.954 where: short stacking energy: -14.954 Base-Backbone interact. energy: -0.000 local terms energy: -23.889393 where: bonds (distance) C4'-P energy: -3.678 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -5.511 flat angles P-C4'-P energy: -4.308 tors. eta vs tors. theta energy: -4.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -35.168885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.168885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.168885 (E_RNA) where: Base-Base interactions energy: -14.185 where: short stacking energy: -14.185 Base-Backbone interact. energy: -0.013 local terms energy: -20.970852 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -2.775 flat angles P-C4'-P energy: -3.681 tors. eta vs tors. theta energy: -3.409 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: 2 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -41.961409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.961409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.961409 (E_RNA) where: Base-Base interactions energy: -15.720 where: short stacking energy: -15.720 Base-Backbone interact. energy: -0.001 local terms energy: -26.240378 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.288 flat angles P-C4'-P energy: -5.170 tors. eta vs tors. theta energy: -2.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -34.432626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.432626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.432626 (E_RNA) where: Base-Base interactions energy: -17.087 where: short stacking energy: -17.087 Base-Backbone interact. energy: -0.000 local terms energy: -17.345284 where: bonds (distance) C4'-P energy: 0.415 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.318 flat angles P-C4'-P energy: -2.208 tors. eta vs tors. theta energy: -4.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -42.442328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.442328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.442328 (E_RNA) where: Base-Base interactions energy: -19.511 where: short stacking energy: -14.857 Base-Backbone interact. energy: -0.001 local terms energy: -22.930426 where: bonds (distance) C4'-P energy: -4.719 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.956 flat angles P-C4'-P energy: -2.080 tors. eta vs tors. theta energy: -3.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -50.078203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.078203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.078203 (E_RNA) where: Base-Base interactions energy: -24.810 where: short stacking energy: -24.810 Base-Backbone interact. energy: -0.000 local terms energy: -25.267680 where: bonds (distance) C4'-P energy: -5.125 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -5.475 flat angles P-C4'-P energy: -2.173 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: 3, replica: 6 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -51.115553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.115553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.115553 (E_RNA) where: Base-Base interactions energy: -31.293 where: short stacking energy: -15.538 Base-Backbone interact. energy: -0.005 local terms energy: -19.818508 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -3.817 flat angles P-C4'-P energy: -2.155 tors. eta vs tors. theta energy: -2.284 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: 5 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -40.277354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.277354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.277354 (E_RNA) where: Base-Base interactions energy: -16.260 where: short stacking energy: -16.260 Base-Backbone interact. energy: -0.004 local terms energy: -24.013683 where: bonds (distance) C4'-P energy: -4.160 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -4.640 flat angles P-C4'-P energy: -5.231 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: 5, replica: 9 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -43.130326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.130326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.130326 (E_RNA) where: Base-Base interactions energy: -19.333 where: short stacking energy: -19.333 Base-Backbone interact. energy: -0.000 local terms energy: -23.797098 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -3.470 flat angles C4'-P-C4' energy: -5.999 flat angles P-C4'-P energy: -4.156 tors. eta vs tors. theta energy: -3.703 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: 239 Temperature: 1.150000 Total energy: -36.875403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.875403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.875403 (E_RNA) where: Base-Base interactions energy: -13.971 where: short stacking energy: -13.971 Base-Backbone interact. energy: -0.014 local terms energy: -22.890082 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.285 flat angles P-C4'-P energy: -3.454 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: 7, replica: 4 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -38.460368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.460368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.460368 (E_RNA) where: Base-Base interactions energy: -16.607 where: short stacking energy: -16.607 Base-Backbone interact. energy: -0.000 local terms energy: -21.853650 where: bonds (distance) C4'-P energy: -5.145 bonds (distance) P-C4' energy: -5.273 flat angles C4'-P-C4' energy: -3.360 flat angles P-C4'-P energy: -4.344 tors. eta vs tors. theta energy: -3.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -35.746099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.746099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.746099 (E_RNA) where: Base-Base interactions energy: -12.886 where: short stacking energy: -12.886 Base-Backbone interact. energy: -0.097 local terms energy: -22.763249 where: bonds (distance) C4'-P energy: -4.242 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.464 flat angles P-C4'-P energy: -2.892 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: 9, replica: 3 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -34.013379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.013379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.013379 (E_RNA) where: Base-Base interactions energy: -12.601 where: short stacking energy: -12.601 Base-Backbone interact. energy: -0.000 local terms energy: -21.412079 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -4.060 flat angles P-C4'-P energy: -3.305 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: 10, replica: 10 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -30.643956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.643956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.643956 (E_RNA) where: Base-Base interactions energy: -8.090 where: short stacking energy: -8.090 Base-Backbone interact. energy: -0.000 local terms energy: -22.554251 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -6.036 flat angles P-C4'-P energy: -4.090 tors. eta vs tors. theta energy: -1.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -48.499430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.499430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.499430 (E_RNA) where: Base-Base interactions energy: -24.009 where: short stacking energy: -24.009 Base-Backbone interact. energy: -0.001 local terms energy: -24.489727 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -5.799 flat angles P-C4'-P energy: -2.577 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: 2, replica: 1 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -49.965704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.965704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.965704 (E_RNA) where: Base-Base interactions energy: -24.092 where: short stacking energy: -18.992 Base-Backbone interact. energy: -0.000 local terms energy: -25.873956 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.794 flat angles P-C4'-P energy: -3.070 tors. eta vs tors. theta energy: -5.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -38.551973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.551973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.551973 (E_RNA) where: Base-Base interactions energy: -13.998 where: short stacking energy: -13.998 Base-Backbone interact. energy: -0.000 local terms energy: -24.553894 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.345 flat angles P-C4'-P energy: -3.908 tors. eta vs tors. theta energy: -3.155 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: 5 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -45.167097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.167097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.167097 (E_RNA) where: Base-Base interactions energy: -17.838 where: short stacking energy: -17.838 Base-Backbone interact. energy: -0.000 local terms energy: -27.329567 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -5.107 flat angles C4'-P-C4' energy: -5.343 flat angles P-C4'-P energy: -4.975 tors. eta vs tors. theta energy: -6.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -42.188922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.188922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.188922 (E_RNA) where: Base-Base interactions energy: -20.022 where: short stacking energy: -20.022 Base-Backbone interact. energy: -0.000 local terms energy: -22.166853 where: bonds (distance) C4'-P energy: -3.527 bonds (distance) P-C4' energy: -3.321 flat angles C4'-P-C4' energy: -6.471 flat angles P-C4'-P energy: -3.039 tors. eta vs tors. theta energy: -5.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -36.729166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.729166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.729166 (E_RNA) where: Base-Base interactions energy: -16.475 where: short stacking energy: -16.475 Base-Backbone interact. energy: -0.000 local terms energy: -20.254576 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.351 flat angles C4'-P-C4' energy: -4.481 flat angles P-C4'-P energy: -1.208 tors. eta vs tors. theta energy: -2.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -43.861776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.861776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.861776 (E_RNA) where: Base-Base interactions energy: -18.451 where: short stacking energy: -18.451 Base-Backbone interact. energy: -0.000 local terms energy: -25.410930 where: bonds (distance) C4'-P energy: -3.990 bonds (distance) P-C4' energy: -4.829 flat angles C4'-P-C4' energy: -5.353 flat angles P-C4'-P energy: -4.495 tors. eta vs tors. theta energy: -6.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -34.527029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.527029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.527029 (E_RNA) where: Base-Base interactions energy: -11.614 where: short stacking energy: -10.556 Base-Backbone interact. energy: -0.006 local terms energy: -22.906350 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -3.751 flat angles C4'-P-C4' energy: -4.727 flat angles P-C4'-P energy: -4.493 tors. eta vs tors. theta energy: -3.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -32.219525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.219525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.219525 (E_RNA) where: Base-Base interactions energy: -12.452 where: short stacking energy: -8.825 Base-Backbone interact. energy: -0.008 local terms energy: -19.759491 where: bonds (distance) C4'-P energy: -4.454 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -3.873 flat angles P-C4'-P energy: -4.499 tors. eta vs tors. theta energy: 0.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -32.350704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.350704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.350704 (E_RNA) where: Base-Base interactions energy: -15.099 where: short stacking energy: -15.099 Base-Backbone interact. energy: -0.000 local terms energy: -17.251357 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -3.861 flat angles C4'-P-C4' energy: -2.191 flat angles P-C4'-P energy: -3.497 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: 7 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -48.929376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.929376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.929376 (E_RNA) where: Base-Base interactions energy: -22.683 where: short stacking energy: -22.683 Base-Backbone interact. energy: -0.015 local terms energy: -26.232094 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.163 flat angles P-C4'-P energy: -3.292 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: 2, replica: 6 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -46.114509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.114509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.114509 (E_RNA) where: Base-Base interactions energy: -22.715 where: short stacking energy: -13.435 Base-Backbone interact. energy: -0.000 local terms energy: -23.399683 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -3.471 flat angles P-C4'-P energy: -4.310 tors. eta vs tors. theta energy: -2.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -41.979392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.979392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.979392 (E_RNA) where: Base-Base interactions energy: -16.067 where: short stacking energy: -16.067 Base-Backbone interact. energy: -0.011 local terms energy: -25.901628 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.461 flat angles P-C4'-P energy: -4.591 tors. eta vs tors. theta energy: -4.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -43.853739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.853739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.853739 (E_RNA) where: Base-Base interactions energy: -18.886 where: short stacking energy: -18.886 Base-Backbone interact. energy: -0.000 local terms energy: -24.967728 where: bonds (distance) C4'-P energy: -4.740 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.657 flat angles P-C4'-P energy: -5.637 tors. eta vs tors. theta energy: -2.716 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: 5, replica: 8 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -38.113746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.113746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.113746 (E_RNA) where: Base-Base interactions energy: -15.221 where: short stacking energy: -15.221 Base-Backbone interact. energy: -0.000 local terms energy: -22.892840 where: bonds (distance) C4'-P energy: -4.703 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.924 flat angles P-C4'-P energy: -3.415 tors. eta vs tors. theta energy: -2.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -34.311191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.311191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.311191 (E_RNA) where: Base-Base interactions energy: -12.424 where: short stacking energy: -11.252 Base-Backbone interact. energy: -0.063 local terms energy: -21.824105 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.431 flat angles P-C4'-P energy: -3.278 tors. eta vs tors. theta energy: -1.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -37.076363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.076363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.076363 (E_RNA) where: Base-Base interactions energy: -14.098 where: short stacking energy: -14.098 Base-Backbone interact. energy: -0.082 local terms energy: -22.895815 where: bonds (distance) C4'-P energy: -2.297 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.921 flat angles P-C4'-P energy: -3.662 tors. eta vs tors. theta energy: -4.366 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: 10 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -33.127434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.127434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.127434 (E_RNA) where: Base-Base interactions energy: -13.107 where: short stacking energy: -13.107 Base-Backbone interact. energy: -0.006 local terms energy: -20.013677 where: bonds (distance) C4'-P energy: -4.773 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.743 flat angles P-C4'-P energy: -3.636 tors. eta vs tors. theta energy: -0.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -43.173850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.173850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.173850 (E_RNA) where: Base-Base interactions energy: -20.608 where: short stacking energy: -18.943 Base-Backbone interact. energy: -0.000 local terms energy: -22.565762 where: bonds (distance) C4'-P energy: -4.040 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.716 flat angles P-C4'-P energy: -2.751 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: 10, replica: 3 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -28.181931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.181931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.181931 (E_RNA) where: Base-Base interactions energy: -7.341 where: short stacking energy: -6.532 Base-Backbone interact. energy: -0.101 local terms energy: -20.740326 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.958 flat angles P-C4'-P energy: -1.887 tors. eta vs tors. theta energy: -0.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -49.568977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.568977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.568977 (E_RNA) where: Base-Base interactions energy: -20.840 where: short stacking energy: -20.840 Base-Backbone interact. energy: -0.000 local terms energy: -28.729154 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.987 flat angles P-C4'-P energy: -4.813 tors. eta vs tors. theta energy: -5.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -46.558822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.558822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.558822 (E_RNA) where: Base-Base interactions energy: -23.009 where: short stacking energy: -23.009 Base-Backbone interact. energy: -0.000 local terms energy: -23.549035 where: bonds (distance) C4'-P energy: -3.696 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -5.091 flat angles P-C4'-P energy: -2.623 tors. eta vs tors. theta energy: -6.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -50.035040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.035040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.035040 (E_RNA) where: Base-Base interactions energy: -22.187 where: short stacking energy: -22.187 Base-Backbone interact. energy: -0.000 local terms energy: -27.847960 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -5.846 flat angles P-C4'-P energy: -5.134 tors. eta vs tors. theta energy: -5.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -45.355515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.355515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.355515 (E_RNA) where: Base-Base interactions energy: -20.198 where: short stacking energy: -11.599 Base-Backbone interact. energy: -0.000 local terms energy: -25.156797 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -5.153 flat angles C4'-P-C4' energy: -3.870 flat angles P-C4'-P energy: -5.156 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: 5, replica: 8 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -47.048008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.048008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.048008 (E_RNA) where: Base-Base interactions energy: -21.382 where: short stacking energy: -21.382 Base-Backbone interact. energy: -0.000 local terms energy: -25.666383 where: bonds (distance) C4'-P energy: -3.646 bonds (distance) P-C4' energy: -5.304 flat angles C4'-P-C4' energy: -6.402 flat angles P-C4'-P energy: -4.324 tors. eta vs tors. theta energy: -5.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -38.838193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.838193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.838193 (E_RNA) where: Base-Base interactions energy: -16.692 where: short stacking energy: -11.521 Base-Backbone interact. energy: -0.008 local terms energy: -22.138264 where: bonds (distance) C4'-P energy: -4.743 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.470 flat angles P-C4'-P energy: -3.391 tors. eta vs tors. theta energy: -0.655 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: 10 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -37.039244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.039244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.039244 (E_RNA) where: Base-Base interactions energy: -18.351 where: short stacking energy: -9.538 Base-Backbone interact. energy: -0.001 local terms energy: -18.687529 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -3.253 flat angles P-C4'-P energy: -4.336 tors. eta vs tors. theta energy: -0.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -33.875873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.875873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.875873 (E_RNA) where: Base-Base interactions energy: -12.418 where: short stacking energy: -4.562 Base-Backbone interact. energy: -0.112 local terms energy: -21.345943 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -6.103 flat angles P-C4'-P energy: -2.166 tors. eta vs tors. theta energy: -1.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -35.124319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.124319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.124319 (E_RNA) where: Base-Base interactions energy: -14.093 where: short stacking energy: -12.598 Base-Backbone interact. energy: -0.092 local terms energy: -20.938545 where: bonds (distance) C4'-P energy: -4.719 bonds (distance) P-C4' energy: -3.224 flat angles C4'-P-C4' energy: -6.608 flat angles P-C4'-P energy: -4.755 tors. eta vs tors. theta energy: -1.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -37.872870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.872870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.872870 (E_RNA) where: Base-Base interactions energy: -15.317 where: short stacking energy: -15.317 Base-Backbone interact. energy: -0.000 local terms energy: -22.555814 where: bonds (distance) C4'-P energy: -3.423 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -6.542 flat angles P-C4'-P energy: -3.554 tors. eta vs tors. theta energy: -4.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -55.523898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.523898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.523898 (E_RNA) where: Base-Base interactions energy: -25.925 where: short stacking energy: -25.925 Base-Backbone interact. energy: -0.000 local terms energy: -29.598444 where: bonds (distance) C4'-P energy: -4.557 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -6.376 flat angles P-C4'-P energy: -5.089 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: 2, replica: 5 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -52.129741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.129741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.129741 (E_RNA) where: Base-Base interactions energy: -28.278 where: short stacking energy: -18.207 Base-Backbone interact. energy: -0.039 local terms energy: -23.812233 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -6.118 flat angles C4'-P-C4' energy: -4.959 flat angles P-C4'-P energy: -3.683 tors. eta vs tors. theta energy: -3.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -49.834933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.834933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.834933 (E_RNA) where: Base-Base interactions energy: -21.963 where: short stacking energy: -21.963 Base-Backbone interact. energy: -0.000 local terms energy: -27.871935 where: bonds (distance) C4'-P energy: -4.607 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.927 flat angles P-C4'-P energy: -3.935 tors. eta vs tors. theta energy: -7.757 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: 243 Temperature: 1.050000 Total energy: -48.459461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.459461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.459461 (E_RNA) where: Base-Base interactions energy: -20.576 where: short stacking energy: -20.576 Base-Backbone interact. energy: -0.000 local terms energy: -27.883437 where: bonds (distance) C4'-P energy: -4.624 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.150 flat angles P-C4'-P energy: -5.048 tors. eta vs tors. theta energy: -5.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -41.364425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.364425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.364425 (E_RNA) where: Base-Base interactions energy: -21.499 where: short stacking energy: -14.291 Base-Backbone interact. energy: -0.000 local terms energy: -19.865589 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -3.575 flat angles C4'-P-C4' energy: -4.470 flat angles P-C4'-P energy: -3.670 tors. eta vs tors. theta energy: -2.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -32.639698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.639698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.639698 (E_RNA) where: Base-Base interactions energy: -12.724 where: short stacking energy: -12.724 Base-Backbone interact. energy: -0.089 local terms energy: -19.826826 where: bonds (distance) C4'-P energy: -4.639 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -5.460 flat angles P-C4'-P energy: -2.805 tors. eta vs tors. theta energy: -0.037 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: 243 Temperature: 1.200000 Total energy: -29.594972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.594972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.594972 (E_RNA) where: Base-Base interactions energy: -10.213 where: short stacking energy: -10.213 Base-Backbone interact. energy: -0.000 local terms energy: -19.382384 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -6.392 flat angles C4'-P-C4' energy: -4.477 flat angles P-C4'-P energy: -1.940 tors. eta vs tors. theta energy: -1.340 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: 243 Temperature: 1.250000 Total energy: -41.496303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.496303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.496303 (E_RNA) where: Base-Base interactions energy: -18.006 where: short stacking energy: -18.006 Base-Backbone interact. energy: -0.000 local terms energy: -23.490236 where: bonds (distance) C4'-P energy: -3.166 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.064 flat angles P-C4'-P energy: -3.577 tors. eta vs tors. theta energy: -5.011 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: 2 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -35.784375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.784375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.784375 (E_RNA) where: Base-Base interactions energy: -16.803 where: short stacking energy: -16.803 Base-Backbone interact. energy: -0.000 local terms energy: -18.981106 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -3.475 flat angles C4'-P-C4' energy: -3.677 flat angles P-C4'-P energy: -2.752 tors. eta vs tors. theta energy: -3.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -31.602748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.602748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.602748 (E_RNA) where: Base-Base interactions energy: -10.102 where: short stacking energy: -10.102 Base-Backbone interact. energy: -0.000 local terms energy: -21.500792 where: bonds (distance) C4'-P energy: -4.869 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.072 flat angles P-C4'-P energy: -2.617 tors. eta vs tors. theta energy: -2.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -46.599320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.599320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.599320 (E_RNA) where: Base-Base interactions energy: -17.598 where: short stacking energy: -17.598 Base-Backbone interact. energy: -0.000 local terms energy: -29.001775 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -6.239 flat angles P-C4'-P energy: -5.247 tors. eta vs tors. theta energy: -6.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -45.854984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.854984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.854984 (E_RNA) where: Base-Base interactions energy: -19.755 where: short stacking energy: -19.755 Base-Backbone interact. energy: -0.001 local terms energy: -26.098721 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -5.837 flat angles C4'-P-C4' energy: -6.064 flat angles P-C4'-P energy: -2.906 tors. eta vs tors. theta energy: -5.426 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: 8 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -52.627014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.627014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.627014 (E_RNA) where: Base-Base interactions energy: -25.384 where: short stacking energy: -25.384 Base-Backbone interact. energy: -0.000 local terms energy: -27.243292 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.611 flat angles P-C4'-P energy: -3.828 tors. eta vs tors. theta energy: -6.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -46.765800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.765800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.765800 (E_RNA) where: Base-Base interactions energy: -20.768 where: short stacking energy: -20.768 Base-Backbone interact. energy: -0.002 local terms energy: -25.995898 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.893 flat angles P-C4'-P energy: -3.975 tors. eta vs tors. theta energy: -3.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -48.347099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.347099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.347099 (E_RNA) where: Base-Base interactions energy: -21.110 where: short stacking energy: -21.110 Base-Backbone interact. energy: -0.083 local terms energy: -27.154404 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -6.025 flat angles P-C4'-P energy: -4.816 tors. eta vs tors. theta energy: -4.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -34.555329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.555329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.555329 (E_RNA) where: Base-Base interactions energy: -10.968 where: short stacking energy: -7.757 Base-Backbone interact. energy: 0.417 local terms energy: -24.005024 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.248 flat angles C4'-P-C4' energy: -6.066 flat angles P-C4'-P energy: -3.816 tors. eta vs tors. theta energy: -2.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -34.823540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.823540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.823540 (E_RNA) where: Base-Base interactions energy: -13.011 where: short stacking energy: -12.913 Base-Backbone interact. energy: -0.001 local terms energy: -21.811540 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -4.034 flat angles P-C4'-P energy: -4.026 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: 8, replica: 3 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -31.922876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.922876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.922876 (E_RNA) where: Base-Base interactions energy: -20.295 where: short stacking energy: -12.664 Base-Backbone interact. energy: -0.003 local terms energy: -11.624921 where: bonds (distance) C4'-P energy: -3.058 bonds (distance) P-C4' energy: -1.073 flat angles C4'-P-C4' energy: -5.474 flat angles P-C4'-P energy: 0.366 tors. eta vs tors. theta energy: -2.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -37.479536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.479536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.479536 (E_RNA) where: Base-Base interactions energy: -13.891 where: short stacking energy: -10.933 Base-Backbone interact. energy: -0.001 local terms energy: -23.587066 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.915 flat angles P-C4'-P energy: -4.382 tors. eta vs tors. theta energy: -1.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -34.685329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.685329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.685329 (E_RNA) where: Base-Base interactions energy: -11.601 where: short stacking energy: -11.601 Base-Backbone interact. energy: -0.000 local terms energy: -23.084109 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.881 flat angles P-C4'-P energy: -3.715 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: 1, replica: 6 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -42.529590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.529590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.529590 (E_RNA) where: Base-Base interactions energy: -17.351 where: short stacking energy: -17.351 Base-Backbone interact. energy: -0.133 local terms energy: -25.045927 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.709 flat angles P-C4'-P energy: -3.357 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: 2, replica: 8 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -40.684893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.684893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.684893 (E_RNA) where: Base-Base interactions energy: -17.268 where: short stacking energy: -12.991 Base-Backbone interact. energy: -0.040 local terms energy: -23.376103 where: bonds (distance) C4'-P energy: -6.362 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.800 flat angles P-C4'-P energy: -4.584 tors. eta vs tors. theta energy: -0.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -38.079853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.079853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.079853 (E_RNA) where: Base-Base interactions energy: -15.218 where: short stacking energy: -15.218 Base-Backbone interact. energy: -0.002 local terms energy: -22.859617 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.397 flat angles P-C4'-P energy: -4.820 tors. eta vs tors. theta energy: -0.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -48.400741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.400741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.400741 (E_RNA) where: Base-Base interactions energy: -29.529 where: short stacking energy: -10.827 Base-Backbone interact. energy: -0.530 local terms energy: -18.342131 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -1.806 flat angles P-C4'-P energy: -3.219 tors. eta vs tors. theta energy: -1.859 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: 7 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -43.329785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.329785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.329785 (E_RNA) where: Base-Base interactions energy: -18.078 where: short stacking energy: -12.249 Base-Backbone interact. energy: -0.572 local terms energy: -24.679750 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -4.389 flat angles P-C4'-P energy: -5.018 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: 6, replica: 1 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -35.614339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.614339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.614339 (E_RNA) where: Base-Base interactions energy: -15.595 where: short stacking energy: -12.244 Base-Backbone interact. energy: -0.006 local terms energy: -20.012693 where: bonds (distance) C4'-P energy: -5.394 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -5.241 flat angles P-C4'-P energy: -2.821 tors. eta vs tors. theta energy: -0.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -33.594278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.594278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.594278 (E_RNA) where: Base-Base interactions energy: -14.033 where: short stacking energy: -14.033 Base-Backbone interact. energy: -0.024 local terms energy: -19.537320 where: bonds (distance) C4'-P energy: -4.755 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -3.286 flat angles P-C4'-P energy: -4.014 tors. eta vs tors. theta energy: -2.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -35.494130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.494130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.494130 (E_RNA) where: Base-Base interactions energy: -13.089 where: short stacking energy: -13.089 Base-Backbone interact. energy: -0.046 local terms energy: -22.358611 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -5.576 flat angles C4'-P-C4' energy: -5.281 flat angles P-C4'-P energy: -4.003 tors. eta vs tors. theta energy: -1.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -35.024761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.024761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.024761 (E_RNA) where: Base-Base interactions energy: -16.034 where: short stacking energy: -16.034 Base-Backbone interact. energy: -0.023 local terms energy: -18.967420 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -4.910 flat angles C4'-P-C4' energy: -1.961 flat angles P-C4'-P energy: -4.174 tors. eta vs tors. theta energy: -2.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -33.778211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.778211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.778211 (E_RNA) where: Base-Base interactions energy: -15.123 where: short stacking energy: -15.123 Base-Backbone interact. energy: -0.002 local terms energy: -18.654130 where: bonds (distance) C4'-P energy: -1.826 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.757 flat angles P-C4'-P energy: -3.709 tors. eta vs tors. theta energy: -2.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -44.124924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.124924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.124924 (E_RNA) where: Base-Base interactions energy: -18.905 where: short stacking energy: -18.905 Base-Backbone interact. energy: -0.000 local terms energy: -25.219691 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.128 flat angles C4'-P-C4' energy: -6.136 flat angles P-C4'-P energy: -3.866 tors. eta vs tors. theta energy: -2.744 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: 6 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -52.509530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.509530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.509530 (E_RNA) where: Base-Base interactions energy: -29.638 where: short stacking energy: -17.306 Base-Backbone interact. energy: 0.994 local terms energy: -23.865602 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -5.645 flat angles P-C4'-P energy: -2.736 tors. eta vs tors. theta energy: -3.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -45.970411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.970411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.970411 (E_RNA) where: Base-Base interactions energy: -18.960 where: short stacking energy: -14.802 Base-Backbone interact. energy: -0.015 local terms energy: -26.995509 where: bonds (distance) C4'-P energy: -5.729 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.274 flat angles P-C4'-P energy: -4.348 tors. eta vs tors. theta energy: -3.765 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: 4, replica: 5 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -36.957653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.957653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.957653 (E_RNA) where: Base-Base interactions energy: -14.324 where: short stacking energy: -12.360 Base-Backbone interact. energy: -0.051 local terms energy: -22.582775 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -2.623 flat angles P-C4'-P energy: -3.779 tors. eta vs tors. theta energy: -3.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -41.308749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.308749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.308749 (E_RNA) where: Base-Base interactions energy: -19.585 where: short stacking energy: -19.585 Base-Backbone interact. energy: -0.786 local terms energy: -20.937006 where: bonds (distance) C4'-P energy: -3.944 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -2.992 flat angles P-C4'-P energy: -3.761 tors. eta vs tors. theta energy: -3.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -35.288298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.288298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.288298 (E_RNA) where: Base-Base interactions energy: -15.126 where: short stacking energy: -12.026 Base-Backbone interact. energy: -0.021 local terms energy: -20.141470 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -4.476 flat angles P-C4'-P energy: -4.677 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: 7, replica: 3 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -44.885755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.885755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.885755 (E_RNA) where: Base-Base interactions energy: -18.012 where: short stacking energy: -18.012 Base-Backbone interact. energy: -0.006 local terms energy: -26.867988 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -5.871 flat angles C4'-P-C4' energy: -6.132 flat angles P-C4'-P energy: -4.774 tors. eta vs tors. theta energy: -3.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -38.608005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.608005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.608005 (E_RNA) where: Base-Base interactions energy: -17.771 where: short stacking energy: -9.563 Base-Backbone interact. energy: -0.023 local terms energy: -20.814512 where: bonds (distance) C4'-P energy: -4.983 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.836 flat angles P-C4'-P energy: -4.975 tors. eta vs tors. theta energy: 1.116 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: 9, replica: 4 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -32.729989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.729989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.729989 (E_RNA) where: Base-Base interactions energy: -12.164 where: short stacking energy: -8.452 Base-Backbone interact. energy: -0.872 local terms energy: -19.693706 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.160 flat angles C4'-P-C4' energy: -2.859 flat angles P-C4'-P energy: -4.291 tors. eta vs tors. theta energy: -1.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -33.640595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.640595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.640595 (E_RNA) where: Base-Base interactions energy: -12.736 where: short stacking energy: -12.736 Base-Backbone interact. energy: -0.000 local terms energy: -20.904282 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.410 flat angles P-C4'-P energy: -1.938 tors. eta vs tors. theta energy: -3.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -40.311474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.311474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.311474 (E_RNA) where: Base-Base interactions energy: -19.677 where: short stacking energy: -19.677 Base-Backbone interact. energy: -0.041 local terms energy: -20.593870 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -4.343 flat angles P-C4'-P energy: -2.431 tors. eta vs tors. theta energy: -3.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -49.346749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.346749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.346749 (E_RNA) where: Base-Base interactions energy: -26.762 where: short stacking energy: -18.044 Base-Backbone interact. energy: -0.000 local terms energy: -22.584393 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -3.532 flat angles P-C4'-P energy: -4.338 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: 3, replica: 6 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -54.147629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.147629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.147629 (E_RNA) where: Base-Base interactions energy: -32.939 where: short stacking energy: -17.222 Base-Backbone interact. energy: -0.002 local terms energy: -21.206564 where: bonds (distance) C4'-P energy: -3.949 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.428 flat angles P-C4'-P energy: -2.204 tors. eta vs tors. theta energy: -2.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -44.465465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.465465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.465465 (E_RNA) where: Base-Base interactions energy: -18.617 where: short stacking energy: -18.617 Base-Backbone interact. energy: -0.000 local terms energy: -25.848184 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.298 flat angles P-C4'-P energy: -3.637 tors. eta vs tors. theta energy: -4.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -38.917472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.917472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.917472 (E_RNA) where: Base-Base interactions energy: -17.658 where: short stacking energy: -17.658 Base-Backbone interact. energy: -0.000 local terms energy: -21.259094 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.204 flat angles P-C4'-P energy: -2.641 tors. eta vs tors. theta energy: -2.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -40.150972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.150972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.150972 (E_RNA) where: Base-Base interactions energy: -18.100 where: short stacking energy: -18.100 Base-Backbone interact. energy: -0.002 local terms energy: -22.048686 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -1.395 flat angles P-C4'-P energy: -4.498 tors. eta vs tors. theta energy: -4.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -35.574510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.574510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.574510 (E_RNA) where: Base-Base interactions energy: -15.727 where: short stacking energy: -5.963 Base-Backbone interact. energy: -0.326 local terms energy: -19.521384 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -4.416 flat angles P-C4'-P energy: -4.046 tors. eta vs tors. theta energy: 1.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -38.314450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.314450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.314450 (E_RNA) where: Base-Base interactions energy: -14.073 where: short stacking energy: -14.073 Base-Backbone interact. energy: -0.000 local terms energy: -24.241102 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.167 flat angles P-C4'-P energy: -4.930 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: 9, replica: 4 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -35.901311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.901311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.901311 (E_RNA) where: Base-Base interactions energy: -14.189 where: short stacking energy: -14.189 Base-Backbone interact. energy: -0.000 local terms energy: -21.712428 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -4.654 flat angles P-C4'-P energy: -3.933 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: 2 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -32.102089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.102089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.102089 (E_RNA) where: Base-Base interactions energy: -12.353 where: short stacking energy: -12.353 Base-Backbone interact. energy: -0.093 local terms energy: -19.655766 where: bonds (distance) C4'-P energy: -4.727 bonds (distance) P-C4' energy: -4.730 flat angles C4'-P-C4' energy: -4.984 flat angles P-C4'-P energy: -4.015 tors. eta vs tors. theta energy: -1.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -52.546952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.546952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.546952 (E_RNA) where: Base-Base interactions energy: -25.640 where: short stacking energy: -22.605 Base-Backbone interact. energy: -0.561 local terms energy: -26.346145 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -3.997 flat angles C4'-P-C4' energy: -6.367 flat angles P-C4'-P energy: -4.272 tors. eta vs tors. theta energy: -5.472 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: 8 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -48.317714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.317714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.317714 (E_RNA) where: Base-Base interactions energy: -19.797 where: short stacking energy: -17.422 Base-Backbone interact. energy: -1.485 local terms energy: -27.035759 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.742 flat angles P-C4'-P energy: -4.500 tors. eta vs tors. theta energy: -4.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -42.927389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.927389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.927389 (E_RNA) where: Base-Base interactions energy: -19.168 where: short stacking energy: -19.168 Base-Backbone interact. energy: -0.000 local terms energy: -23.759667 where: bonds (distance) C4'-P energy: -2.662 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -6.041 flat angles P-C4'-P energy: -4.371 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: 4, replica: 1 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -38.716334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.716334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.716334 (E_RNA) where: Base-Base interactions energy: -18.592 where: short stacking energy: -18.592 Base-Backbone interact. energy: -0.001 local terms energy: -20.123650 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -5.110 flat angles C4'-P-C4' energy: -4.130 flat angles P-C4'-P energy: -2.232 tors. eta vs tors. theta energy: -3.017 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: 248 Temperature: 1.100000 Total energy: -49.693981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.693981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.693981 (E_RNA) where: Base-Base interactions energy: -23.195 where: short stacking energy: -23.195 Base-Backbone interact. energy: -0.000 local terms energy: -26.499092 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.072 flat angles P-C4'-P energy: -2.937 tors. eta vs tors. theta energy: -6.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -37.759698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.759698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.759698 (E_RNA) where: Base-Base interactions energy: -14.368 where: short stacking energy: -14.368 Base-Backbone interact. energy: -0.156 local terms energy: -23.235509 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.834 flat angles P-C4'-P energy: -4.103 tors. eta vs tors. theta energy: -1.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -35.521752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.521752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.521752 (E_RNA) where: Base-Base interactions energy: -13.662 where: short stacking energy: -13.662 Base-Backbone interact. energy: -0.272 local terms energy: -21.587293 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -6.170 flat angles P-C4'-P energy: -2.982 tors. eta vs tors. theta energy: 0.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -40.619757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.619757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.619757 (E_RNA) where: Base-Base interactions energy: -18.742 where: short stacking energy: -18.742 Base-Backbone interact. energy: -0.000 local terms energy: -21.878129 where: bonds (distance) C4'-P energy: -3.503 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -6.182 flat angles P-C4'-P energy: -1.901 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: 9, replica: 2 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -37.962443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.962443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.962443 (E_RNA) where: Base-Base interactions energy: -16.075 where: short stacking energy: -16.075 Base-Backbone interact. energy: -0.000 local terms energy: -21.887235 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -6.355 flat angles C4'-P-C4' energy: -4.338 flat angles P-C4'-P energy: -2.405 tors. eta vs tors. theta energy: -3.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -32.105917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.105917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.105917 (E_RNA) where: Base-Base interactions energy: -12.562 where: short stacking energy: -12.562 Base-Backbone interact. energy: -0.000 local terms energy: -19.543555 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -4.535 flat angles P-C4'-P energy: -2.094 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: 9 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -52.374129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.374129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.374129 (E_RNA) where: Base-Base interactions energy: -26.109 where: short stacking energy: -26.109 Base-Backbone interact. energy: -0.000 local terms energy: -26.264769 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -4.463 flat angles P-C4'-P energy: -3.671 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: 2, replica: 6 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -44.212551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.212551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.212551 (E_RNA) where: Base-Base interactions energy: -19.574 where: short stacking energy: -19.574 Base-Backbone interact. energy: -0.000 local terms energy: -24.638125 where: bonds (distance) C4'-P energy: -5.435 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -5.149 flat angles P-C4'-P energy: -2.327 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: 3, replica: 8 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -47.000745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.000745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.000745 (E_RNA) where: Base-Base interactions energy: -18.197 where: short stacking energy: -18.197 Base-Backbone interact. energy: -0.000 local terms energy: -28.803939 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -5.974 flat angles P-C4'-P energy: -4.097 tors. eta vs tors. theta energy: -6.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -39.707846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.707846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.707846 (E_RNA) where: Base-Base interactions energy: -17.547 where: short stacking energy: -14.400 Base-Backbone interact. energy: -0.006 local terms energy: -22.154506 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -6.006 flat angles P-C4'-P energy: -4.091 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: 5, replica: 1 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -42.202987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.202987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.202987 (E_RNA) where: Base-Base interactions energy: -19.257 where: short stacking energy: -14.743 Base-Backbone interact. energy: -0.351 local terms energy: -22.595109 where: bonds (distance) C4'-P energy: -5.071 bonds (distance) P-C4' energy: -4.850 flat angles C4'-P-C4' energy: -5.706 flat angles P-C4'-P energy: -5.507 tors. eta vs tors. theta energy: -1.460 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: 6, replica: 7 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -34.249664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.249664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.249664 (E_RNA) where: Base-Base interactions energy: -15.403 where: short stacking energy: -9.928 Base-Backbone interact. energy: -0.065 local terms energy: -18.781995 where: bonds (distance) C4'-P energy: -4.619 bonds (distance) P-C4' energy: -4.015 flat angles C4'-P-C4' energy: -6.401 flat angles P-C4'-P energy: -2.289 tors. eta vs tors. theta energy: -1.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -35.568629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.568629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.568629 (E_RNA) where: Base-Base interactions energy: -15.595 where: short stacking energy: -11.761 Base-Backbone interact. energy: -0.636 local terms energy: -19.337603 where: bonds (distance) C4'-P energy: -1.630 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.576 flat angles P-C4'-P energy: -3.719 tors. eta vs tors. theta energy: -1.737 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: 8, replica: 10 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -34.993519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.993519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.993519 (E_RNA) where: Base-Base interactions energy: -14.727 where: short stacking energy: -12.050 Base-Backbone interact. energy: -0.134 local terms energy: -20.132435 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -4.523 flat angles P-C4'-P energy: -1.470 tors. eta vs tors. theta energy: -1.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -34.166449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.166449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.166449 (E_RNA) where: Base-Base interactions energy: -14.076 where: short stacking energy: -14.076 Base-Backbone interact. energy: -0.013 local terms energy: -20.076948 where: bonds (distance) C4'-P energy: -3.129 bonds (distance) P-C4' energy: -5.663 flat angles C4'-P-C4' energy: -4.787 flat angles P-C4'-P energy: -4.687 tors. eta vs tors. theta energy: -1.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -31.299444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.299444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.299444 (E_RNA) where: Base-Base interactions energy: -10.885 where: short stacking energy: -10.885 Base-Backbone interact. energy: -0.004 local terms energy: -20.411158 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.149 flat angles P-C4'-P energy: -1.520 tors. eta vs tors. theta energy: -1.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -45.279972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.279972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.279972 (E_RNA) where: Base-Base interactions energy: -21.396 where: short stacking energy: -21.396 Base-Backbone interact. energy: -0.001 local terms energy: -23.882969 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.164 flat angles P-C4'-P energy: -3.392 tors. eta vs tors. theta energy: -3.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -43.494644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.494644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.494644 (E_RNA) where: Base-Base interactions energy: -20.647 where: short stacking energy: -20.647 Base-Backbone interact. energy: -0.013 local terms energy: -22.834982 where: bonds (distance) C4'-P energy: -3.957 bonds (distance) P-C4' energy: -5.563 flat angles C4'-P-C4' energy: -5.667 flat angles P-C4'-P energy: -4.313 tors. eta vs tors. theta energy: -3.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -43.129505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.129505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.129505 (E_RNA) where: Base-Base interactions energy: -21.343 where: short stacking energy: -21.343 Base-Backbone interact. energy: -0.002 local terms energy: -21.785367 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -5.513 flat angles P-C4'-P energy: -0.718 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: 4, replica: 8 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -44.242746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.242746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.242746 (E_RNA) where: Base-Base interactions energy: -18.255 where: short stacking energy: -18.255 Base-Backbone interact. energy: -0.000 local terms energy: -25.987602 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -3.933 flat angles P-C4'-P energy: -4.965 tors. eta vs tors. theta energy: -4.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -39.375711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.375711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.375711 (E_RNA) where: Base-Base interactions energy: -15.430 where: short stacking energy: -15.430 Base-Backbone interact. energy: -0.000 local terms energy: -23.945374 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -4.797 flat angles C4'-P-C4' energy: -4.806 flat angles P-C4'-P energy: -3.862 tors. eta vs tors. theta energy: -4.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -49.980030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.980030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.980030 (E_RNA) where: Base-Base interactions energy: -24.411 where: short stacking energy: -24.411 Base-Backbone interact. energy: -0.000 local terms energy: -25.569155 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -4.988 flat angles C4'-P-C4' energy: -6.481 flat angles P-C4'-P energy: -2.186 tors. eta vs tors. theta energy: -6.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -40.265058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.265058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.265058 (E_RNA) where: Base-Base interactions energy: -17.438 where: short stacking energy: -17.438 Base-Backbone interact. energy: -0.000 local terms energy: -22.827270 where: bonds (distance) C4'-P energy: -4.376 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -5.695 flat angles P-C4'-P energy: -1.028 tors. eta vs tors. theta energy: -5.898 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: 8, replica: 5 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -34.786199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.786199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.786199 (E_RNA) where: Base-Base interactions energy: -11.731 where: short stacking energy: -8.328 Base-Backbone interact. energy: -0.533 local terms energy: -22.522560 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -4.789 flat angles P-C4'-P energy: -4.008 tors. eta vs tors. theta energy: -1.315 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: 4 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -35.230350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.230350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.230350 (E_RNA) where: Base-Base interactions energy: -18.413 where: short stacking energy: -15.358 Base-Backbone interact. energy: 0.047 local terms energy: -16.864263 where: bonds (distance) C4'-P energy: -4.169 bonds (distance) P-C4' energy: -2.858 flat angles C4'-P-C4' energy: -3.668 flat angles P-C4'-P energy: -4.238 tors. eta vs tors. theta energy: -1.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -29.555876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.555876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.555876 (E_RNA) where: Base-Base interactions energy: -12.012 where: short stacking energy: -12.012 Base-Backbone interact. energy: -0.131 local terms energy: -17.413380 where: bonds (distance) C4'-P energy: -5.286 bonds (distance) P-C4' energy: -4.526 flat angles C4'-P-C4' energy: -5.950 flat angles P-C4'-P energy: -2.326 tors. eta vs tors. theta energy: 0.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -44.750942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.750942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.750942 (E_RNA) where: Base-Base interactions energy: -20.426 where: short stacking energy: -20.426 Base-Backbone interact. energy: -0.001 local terms energy: -24.323807 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -5.895 flat angles C4'-P-C4' energy: -5.096 flat angles P-C4'-P energy: -4.180 tors. eta vs tors. theta energy: -3.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -54.613200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.613200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.613200 (E_RNA) where: Base-Base interactions energy: -25.781 where: short stacking energy: -25.781 Base-Backbone interact. energy: -0.000 local terms energy: -28.832451 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -3.980 flat angles P-C4'-P energy: -4.335 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: 3, replica: 3 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -42.624834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.624834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.624834 (E_RNA) where: Base-Base interactions energy: -17.724 where: short stacking energy: -10.776 Base-Backbone interact. energy: -0.001 local terms energy: -24.899997 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.957 flat angles P-C4'-P energy: -2.273 tors. eta vs tors. theta energy: -5.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -46.239607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.239607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.239607 (E_RNA) where: Base-Base interactions energy: -21.981 where: short stacking energy: -21.981 Base-Backbone interact. energy: -0.000 local terms energy: -24.258088 where: bonds (distance) C4'-P energy: -2.611 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -6.314 flat angles P-C4'-P energy: -3.586 tors. eta vs tors. theta energy: -5.759 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: 5, replica: 8 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -50.226073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.226073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.226073 (E_RNA) where: Base-Base interactions energy: -23.046 where: short stacking energy: -23.046 Base-Backbone interact. energy: -0.000 local terms energy: -27.179642 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -4.463 flat angles C4'-P-C4' energy: -5.691 flat angles P-C4'-P energy: -3.568 tors. eta vs tors. theta energy: -7.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -35.569829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.569829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.569829 (E_RNA) where: Base-Base interactions energy: -14.609 where: short stacking energy: -14.609 Base-Backbone interact. energy: -0.001 local terms energy: -20.959063 where: bonds (distance) C4'-P energy: -3.274 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -6.369 flat angles P-C4'-P energy: -4.439 tors. eta vs tors. theta energy: -1.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -37.110421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.110421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.110421 (E_RNA) where: Base-Base interactions energy: -15.172 where: short stacking energy: -15.172 Base-Backbone interact. energy: -0.081 local terms energy: -21.858150 where: bonds (distance) C4'-P energy: -3.680 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.513 flat angles P-C4'-P energy: -4.580 tors. eta vs tors. theta energy: -2.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -31.003513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.003513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.003513 (E_RNA) where: Base-Base interactions energy: -12.004 where: short stacking energy: -12.004 Base-Backbone interact. energy: 0.779 local terms energy: -19.778712 where: bonds (distance) C4'-P energy: -3.129 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.144 flat angles P-C4'-P energy: -4.786 tors. eta vs tors. theta energy: -0.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -38.637994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.637994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.637994 (E_RNA) where: Base-Base interactions energy: -17.173 where: short stacking energy: -17.173 Base-Backbone interact. energy: -0.000 local terms energy: -21.464973 where: bonds (distance) C4'-P energy: -4.246 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.299 flat angles P-C4'-P energy: -4.001 tors. eta vs tors. theta energy: -4.030 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: 2 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -35.654278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.654278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.654278 (E_RNA) where: Base-Base interactions energy: -10.185 where: short stacking energy: -7.860 Base-Backbone interact. energy: -0.376 local terms energy: -25.093062 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.566 flat angles P-C4'-P energy: -4.943 tors. eta vs tors. theta energy: -2.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -45.932086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.932086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.932086 (E_RNA) where: Base-Base interactions energy: -21.520 where: short stacking energy: -21.520 Base-Backbone interact. energy: -0.002 local terms energy: -24.409562 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -5.438 flat angles C4'-P-C4' energy: -4.880 flat angles P-C4'-P energy: -1.968 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: 2, replica: 9 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -44.888208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.888208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.888208 (E_RNA) where: Base-Base interactions energy: -22.080 where: short stacking energy: -22.080 Base-Backbone interact. energy: -0.044 local terms energy: -22.764566 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -2.497 flat angles C4'-P-C4' energy: -4.031 flat angles P-C4'-P energy: -4.553 tors. eta vs tors. theta energy: -6.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -48.241218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.241218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.241218 (E_RNA) where: Base-Base interactions energy: -20.937 where: short stacking energy: -15.991 Base-Backbone interact. energy: -0.865 local terms energy: -26.439117 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.905 flat angles P-C4'-P energy: -2.549 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: 4, replica: 3 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -41.842124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.842124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.842124 (E_RNA) where: Base-Base interactions energy: -15.831 where: short stacking energy: -15.831 Base-Backbone interact. energy: -0.000 local terms energy: -26.011276 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.916 flat angles C4'-P-C4' energy: -5.419 flat angles P-C4'-P energy: -4.041 tors. eta vs tors. theta energy: -4.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -36.807125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.807125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.807125 (E_RNA) where: Base-Base interactions energy: -16.870 where: short stacking energy: -16.870 Base-Backbone interact. energy: -0.000 local terms energy: -19.936963 where: bonds (distance) C4'-P energy: -2.260 bonds (distance) P-C4' energy: -5.200 flat angles C4'-P-C4' energy: -3.217 flat angles P-C4'-P energy: -5.146 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: 6, replica: 8 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -33.562149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.562149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.562149 (E_RNA) where: Base-Base interactions energy: -13.136 where: short stacking energy: -13.136 Base-Backbone interact. energy: -0.085 local terms energy: -20.341025 where: bonds (distance) C4'-P energy: -4.052 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -6.373 flat angles P-C4'-P energy: -2.186 tors. eta vs tors. theta energy: -1.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -43.019504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.019504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.019504 (E_RNA) where: Base-Base interactions energy: -22.570 where: short stacking energy: -18.769 Base-Backbone interact. energy: -0.004 local terms energy: -20.445776 where: bonds (distance) C4'-P energy: -4.983 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -3.448 flat angles P-C4'-P energy: -1.254 tors. eta vs tors. theta energy: -4.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -28.450691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.450691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.450691 (E_RNA) where: Base-Base interactions energy: -6.319 where: short stacking energy: -6.419 Base-Backbone interact. energy: -0.369 local terms energy: -21.762126 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -5.144 flat angles P-C4'-P energy: -3.536 tors. eta vs tors. theta energy: -0.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -33.955248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.955248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.955248 (E_RNA) where: Base-Base interactions energy: -13.657 where: short stacking energy: -12.007 Base-Backbone interact. energy: -0.206 local terms energy: -20.092638 where: bonds (distance) C4'-P energy: -4.523 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.370 flat angles P-C4'-P energy: -1.971 tors. eta vs tors. theta energy: -2.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -33.880845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.880845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.880845 (E_RNA) where: Base-Base interactions energy: -13.229 where: short stacking energy: -13.229 Base-Backbone interact. energy: -0.070 local terms energy: -20.581867 where: bonds (distance) C4'-P energy: -4.284 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -5.166 flat angles P-C4'-P energy: -3.161 tors. eta vs tors. theta energy: -2.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -47.307307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.307307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.307307 (E_RNA) where: Base-Base interactions energy: -21.428 where: short stacking energy: -21.428 Base-Backbone interact. energy: -0.000 local terms energy: -25.879077 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -4.272 flat angles P-C4'-P energy: -4.045 tors. eta vs tors. theta energy: -5.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -40.106157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.106157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.106157 (E_RNA) where: Base-Base interactions energy: -15.483 where: short stacking energy: -15.483 Base-Backbone interact. energy: 0.664 local terms energy: -25.286610 where: bonds (distance) C4'-P energy: -4.901 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -6.024 flat angles P-C4'-P energy: -5.194 tors. eta vs tors. theta energy: -2.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -44.713266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.713266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.713266 (E_RNA) where: Base-Base interactions energy: -17.787 where: short stacking energy: -17.787 Base-Backbone interact. energy: -0.003 local terms energy: -26.923274 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.094 flat angles C4'-P-C4' energy: -5.537 flat angles P-C4'-P energy: -4.832 tors. eta vs tors. theta energy: -4.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -51.967676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.967676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.967676 (E_RNA) where: Base-Base interactions energy: -23.322 where: short stacking energy: -23.322 Base-Backbone interact. energy: -0.000 local terms energy: -28.645618 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -3.589 flat angles C4'-P-C4' energy: -6.344 flat angles P-C4'-P energy: -4.984 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: 5, replica: 3 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -49.375202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.375202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.375202 (E_RNA) where: Base-Base interactions energy: -24.444 where: short stacking energy: -24.444 Base-Backbone interact. energy: -0.000 local terms energy: -24.931353 where: bonds (distance) C4'-P energy: -3.447 bonds (distance) P-C4' energy: -5.438 flat angles C4'-P-C4' energy: -6.118 flat angles P-C4'-P energy: -4.143 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: 6, replica: 4 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -37.946000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.946000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.946000 (E_RNA) where: Base-Base interactions energy: -16.990 where: short stacking energy: -16.990 Base-Backbone interact. energy: -0.005 local terms energy: -20.951441 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -5.129 flat angles P-C4'-P energy: -2.350 tors. eta vs tors. theta energy: -2.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -28.676516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.676516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.676516 (E_RNA) where: Base-Base interactions energy: -14.903 where: short stacking energy: -5.236 Base-Backbone interact. energy: -0.450 local terms energy: -13.323111 where: bonds (distance) C4'-P energy: -4.747 bonds (distance) P-C4' energy: -5.941 flat angles C4'-P-C4' energy: -5.325 flat angles P-C4'-P energy: -0.770 tors. eta vs tors. theta energy: 3.460 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: 8, replica: 2 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -35.802484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.802484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.802484 (E_RNA) where: Base-Base interactions energy: -16.157 where: short stacking energy: -9.752 Base-Backbone interact. energy: -0.012 local terms energy: -19.633265 where: bonds (distance) C4'-P energy: -4.980 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -4.372 flat angles P-C4'-P energy: -2.959 tors. eta vs tors. theta energy: -0.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -37.189554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.189554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.189554 (E_RNA) where: Base-Base interactions energy: -13.115 where: short stacking energy: -13.115 Base-Backbone interact. energy: -0.018 local terms energy: -24.056276 where: bonds (distance) C4'-P energy: -4.380 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -5.255 flat angles P-C4'-P energy: -4.752 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: 10, replica: 5 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -40.894094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.894094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.894094 (E_RNA) where: Base-Base interactions energy: -16.223 where: short stacking energy: -16.223 Base-Backbone interact. energy: -0.082 local terms energy: -24.588938 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.478 flat angles P-C4'-P energy: -3.719 tors. eta vs tors. theta energy: -2.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -54.426314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.426314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.426314 (E_RNA) where: Base-Base interactions energy: -25.914 where: short stacking energy: -25.914 Base-Backbone interact. energy: -0.000 local terms energy: -28.512139 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -5.487 flat angles P-C4'-P energy: -5.374 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: 2, replica: 9 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -43.515907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.515907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.515907 (E_RNA) where: Base-Base interactions energy: -21.990 where: short stacking energy: -21.990 Base-Backbone interact. energy: -0.040 local terms energy: -21.485896 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -2.757 flat angles C4'-P-C4' energy: -4.626 flat angles P-C4'-P energy: -4.804 tors. eta vs tors. theta energy: -3.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -50.510118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.510118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.510118 (E_RNA) where: Base-Base interactions energy: -22.988 where: short stacking energy: -22.988 Base-Backbone interact. energy: -0.000 local terms energy: -27.522526 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.408 flat angles P-C4'-P energy: -4.092 tors. eta vs tors. theta energy: -6.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -42.730186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.730186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.730186 (E_RNA) where: Base-Base interactions energy: -16.971 where: short stacking energy: -16.971 Base-Backbone interact. energy: -0.000 local terms energy: -25.759590 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.705 flat angles C4'-P-C4' energy: -5.396 flat angles P-C4'-P energy: -4.244 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: 5, replica: 4 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -44.500849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.500849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.500849 (E_RNA) where: Base-Base interactions energy: -24.458 where: short stacking energy: -19.277 Base-Backbone interact. energy: -0.274 local terms energy: -19.768328 where: bonds (distance) C4'-P energy: -4.951 bonds (distance) P-C4' energy: -5.426 flat angles C4'-P-C4' energy: -4.489 flat angles P-C4'-P energy: -1.495 tors. eta vs tors. theta energy: -3.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -39.493973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.493973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.493973 (E_RNA) where: Base-Base interactions energy: -14.221 where: short stacking energy: -13.357 Base-Backbone interact. energy: -0.137 local terms energy: -25.136474 where: bonds (distance) C4'-P energy: -5.153 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.494 flat angles P-C4'-P energy: -4.341 tors. eta vs tors. theta energy: -3.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -37.106330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.106330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.106330 (E_RNA) where: Base-Base interactions energy: -18.342 where: short stacking energy: -18.342 Base-Backbone interact. energy: -0.002 local terms energy: -18.762507 where: bonds (distance) C4'-P energy: -2.865 bonds (distance) P-C4' energy: -4.466 flat angles C4'-P-C4' energy: -5.138 flat angles P-C4'-P energy: -3.764 tors. eta vs tors. theta energy: -2.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -38.797600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.797600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.797600 (E_RNA) where: Base-Base interactions energy: -16.670 where: short stacking energy: -13.008 Base-Backbone interact. energy: -0.072 local terms energy: -22.056352 where: bonds (distance) C4'-P energy: -5.055 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -6.800 flat angles P-C4'-P energy: -2.525 tors. eta vs tors. theta energy: -1.481 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: 254 Temperature: 1.300000 Total energy: -36.724467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.724467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.724467 (E_RNA) where: Base-Base interactions energy: -15.803 where: short stacking energy: -15.803 Base-Backbone interact. energy: -0.000 local terms energy: -20.920867 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -3.550 flat angles C4'-P-C4' energy: -3.889 flat angles P-C4'-P energy: -3.422 tors. eta vs tors. theta energy: -4.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -32.144169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.144169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.144169 (E_RNA) where: Base-Base interactions energy: -17.806 where: short stacking energy: -9.461 Base-Backbone interact. energy: -0.000 local terms energy: -14.338240 where: bonds (distance) C4'-P energy: -2.429 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -5.345 flat angles P-C4'-P energy: 0.497 tors. eta vs tors. theta energy: -1.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -48.665573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.665573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.665573 (E_RNA) where: Base-Base interactions energy: -22.881 where: short stacking energy: -22.881 Base-Backbone interact. energy: -0.000 local terms energy: -25.784986 where: bonds (distance) C4'-P energy: -3.208 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.990 flat angles P-C4'-P energy: -4.352 tors. eta vs tors. theta energy: -5.821 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: 2, replica: 10 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -54.516961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.516961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.516961 (E_RNA) where: Base-Base interactions energy: -26.157 where: short stacking energy: -26.157 Base-Backbone interact. energy: -0.000 local terms energy: -28.359903 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.780 flat angles P-C4'-P energy: -3.937 tors. eta vs tors. theta energy: -7.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -53.164379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.164379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.164379 (E_RNA) where: Base-Base interactions energy: -23.011 where: short stacking energy: -23.011 Base-Backbone interact. energy: -0.000 local terms energy: -30.153111 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.998 flat angles P-C4'-P energy: -4.699 tors. eta vs tors. theta energy: -6.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -38.310745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.310745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.310745 (E_RNA) where: Base-Base interactions energy: -14.940 where: short stacking energy: -14.940 Base-Backbone interact. energy: -0.002 local terms energy: -23.368944 where: bonds (distance) C4'-P energy: -5.220 bonds (distance) P-C4' energy: -4.617 flat angles C4'-P-C4' energy: -6.169 flat angles P-C4'-P energy: -4.061 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: 5, replica: 7 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -40.482960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.482960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.482960 (E_RNA) where: Base-Base interactions energy: -19.418 where: short stacking energy: -10.366 Base-Backbone interact. energy: -0.007 local terms energy: -21.057484 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -4.122 flat angles P-C4'-P energy: -4.616 tors. eta vs tors. theta energy: -1.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -42.166334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.166334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.166334 (E_RNA) where: Base-Base interactions energy: -17.852 where: short stacking energy: -17.852 Base-Backbone interact. energy: -0.000 local terms energy: -24.314673 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -4.749 flat angles P-C4'-P energy: -3.355 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: 7, replica: 3 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -34.898575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.898575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.898575 (E_RNA) where: Base-Base interactions energy: -18.594 where: short stacking energy: -13.703 Base-Backbone interact. energy: -0.114 local terms energy: -16.190311 where: bonds (distance) C4'-P energy: -3.575 bonds (distance) P-C4' energy: -5.413 flat angles C4'-P-C4' energy: -6.282 flat angles P-C4'-P energy: -0.136 tors. eta vs tors. theta energy: -0.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -40.417774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.417774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.417774 (E_RNA) where: Base-Base interactions energy: -15.713 where: short stacking energy: -15.713 Base-Backbone interact. energy: -0.014 local terms energy: -24.690686 where: bonds (distance) C4'-P energy: -3.820 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.258 flat angles P-C4'-P energy: -4.112 tors. eta vs tors. theta energy: -5.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -36.325339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.325339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.325339 (E_RNA) where: Base-Base interactions energy: -15.388 where: short stacking energy: -15.388 Base-Backbone interact. energy: -0.002 local terms energy: -20.935655 where: bonds (distance) C4'-P energy: -3.146 bonds (distance) P-C4' energy: -2.585 flat angles C4'-P-C4' energy: -6.014 flat angles P-C4'-P energy: -4.639 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: 10, replica: 1 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -33.274283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.274283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.274283 (E_RNA) where: Base-Base interactions energy: -11.628 where: short stacking energy: -11.628 Base-Backbone interact. energy: -0.000 local terms energy: -21.646385 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -5.048 flat angles C4'-P-C4' energy: -3.506 flat angles P-C4'-P energy: -2.002 tors. eta vs tors. theta energy: -5.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -41.332687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.332687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.332687 (E_RNA) where: Base-Base interactions energy: -15.336 where: short stacking energy: -15.336 Base-Backbone interact. energy: -0.001 local terms energy: -25.995369 where: bonds (distance) C4'-P energy: -5.285 bonds (distance) P-C4' energy: -5.506 flat angles C4'-P-C4' energy: -6.269 flat angles P-C4'-P energy: -5.337 tors. eta vs tors. theta energy: -3.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -42.272492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.272492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.272492 (E_RNA) where: Base-Base interactions energy: -18.188 where: short stacking energy: -18.188 Base-Backbone interact. energy: -0.033 local terms energy: -24.051315 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.100 flat angles P-C4'-P energy: -2.540 tors. eta vs tors. theta energy: -3.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -48.071178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.071178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.071178 (E_RNA) where: Base-Base interactions energy: -22.629 where: short stacking energy: -22.629 Base-Backbone interact. energy: -0.000 local terms energy: -25.442117 where: bonds (distance) C4'-P energy: -3.936 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -5.601 flat angles P-C4'-P energy: -3.571 tors. eta vs tors. theta energy: -5.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -46.613635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.613635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.613635 (E_RNA) where: Base-Base interactions energy: -21.752 where: short stacking energy: -21.752 Base-Backbone interact. energy: -0.000 local terms energy: -24.861327 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -4.135 flat angles C4'-P-C4' energy: -5.527 flat angles P-C4'-P energy: -2.929 tors. eta vs tors. theta energy: -7.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -46.498396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.498396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.498396 (E_RNA) where: Base-Base interactions energy: -23.312 where: short stacking energy: -17.503 Base-Backbone interact. energy: -0.010 local terms energy: -23.176868 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.405 flat angles P-C4'-P energy: -3.814 tors. eta vs tors. theta energy: -3.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -36.315301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.315301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.315301 (E_RNA) where: Base-Base interactions energy: -12.650 where: short stacking energy: -12.650 Base-Backbone interact. energy: -0.076 local terms energy: -23.588971 where: bonds (distance) C4'-P energy: -3.974 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -6.424 flat angles P-C4'-P energy: -3.613 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: 7, replica: 5 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -38.969534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.969534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.969534 (E_RNA) where: Base-Base interactions energy: -15.042 where: short stacking energy: -15.042 Base-Backbone interact. energy: -0.111 local terms energy: -23.816640 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.161 flat angles P-C4'-P energy: -2.823 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: 3 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -38.005761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.005761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.005761 (E_RNA) where: Base-Base interactions energy: -13.469 where: short stacking energy: -13.469 Base-Backbone interact. energy: -0.000 local terms energy: -24.536076 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.988 flat angles P-C4'-P energy: -3.251 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: 9, replica: 1 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -31.935250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.935250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.935250 (E_RNA) where: Base-Base interactions energy: -11.170 where: short stacking energy: -9.302 Base-Backbone interact. energy: -0.001 local terms energy: -20.765039 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -3.011 flat angles P-C4'-P energy: -1.774 tors. eta vs tors. theta energy: -4.030 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: 8 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -43.435179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.435179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.435179 (E_RNA) where: Base-Base interactions energy: -20.835 where: short stacking energy: -20.835 Base-Backbone interact. energy: -0.000 local terms energy: -22.600090 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -4.877 flat angles C4'-P-C4' energy: -2.951 flat angles P-C4'-P energy: -4.356 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: 1, replica: 6 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -46.050112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.050112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.050112 (E_RNA) where: Base-Base interactions energy: -23.286 where: short stacking energy: -23.286 Base-Backbone interact. energy: -0.001 local terms energy: -22.763274 where: bonds (distance) C4'-P energy: -4.400 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -6.081 flat angles P-C4'-P energy: -3.278 tors. eta vs tors. theta energy: -3.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -42.914518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.914518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.914518 (E_RNA) where: Base-Base interactions energy: -21.641 where: short stacking energy: -21.641 Base-Backbone interact. energy: -0.000 local terms energy: -21.273832 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -6.358 flat angles C4'-P-C4' energy: -4.476 flat angles P-C4'-P energy: -0.758 tors. eta vs tors. theta energy: -3.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -48.733880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.733880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.733880 (E_RNA) where: Base-Base interactions energy: -21.975 where: short stacking energy: -16.311 Base-Backbone interact. energy: -0.000 local terms energy: -26.758681 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -5.273 flat angles C4'-P-C4' energy: -5.974 flat angles P-C4'-P energy: -4.111 tors. eta vs tors. theta energy: -5.472 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: 4 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -40.632983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.632983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.632983 (E_RNA) where: Base-Base interactions energy: -16.850 where: short stacking energy: -16.548 Base-Backbone interact. energy: -0.041 local terms energy: -23.741528 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.761 flat angles P-C4'-P energy: -3.732 tors. eta vs tors. theta energy: -1.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -38.993190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.993190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.993190 (E_RNA) where: Base-Base interactions energy: -13.307 where: short stacking energy: -13.307 Base-Backbone interact. energy: -0.021 local terms energy: -25.665442 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -5.705 flat angles P-C4'-P energy: -2.745 tors. eta vs tors. theta energy: -4.908 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: 5 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -40.414473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.414473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.414473 (E_RNA) where: Base-Base interactions energy: -19.751 where: short stacking energy: -12.786 Base-Backbone interact. energy: -0.285 local terms energy: -20.378358 where: bonds (distance) C4'-P energy: -3.050 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.888 flat angles P-C4'-P energy: -0.594 tors. eta vs tors. theta energy: -3.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -36.148890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.148890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.148890 (E_RNA) where: Base-Base interactions energy: -16.552 where: short stacking energy: -10.840 Base-Backbone interact. energy: -0.087 local terms energy: -19.510180 where: bonds (distance) C4'-P energy: -4.872 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -4.999 flat angles P-C4'-P energy: -2.546 tors. eta vs tors. theta energy: -1.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -35.371257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.371257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.371257 (E_RNA) where: Base-Base interactions energy: -16.456 where: short stacking energy: -16.456 Base-Backbone interact. energy: -0.033 local terms energy: -18.882258 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -4.917 flat angles C4'-P-C4' energy: -5.262 flat angles P-C4'-P energy: -0.600 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: 9, replica: 3 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -29.117490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.117490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.117490 (E_RNA) where: Base-Base interactions energy: -8.790 where: short stacking energy: -8.790 Base-Backbone interact. energy: -0.000 local terms energy: -20.327130 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -4.790 flat angles P-C4'-P energy: -4.038 tors. eta vs tors. theta energy: -1.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -32.119639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.119639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.119639 (E_RNA) where: Base-Base interactions energy: -9.698 where: short stacking energy: -9.698 Base-Backbone interact. energy: -0.036 local terms energy: -22.386112 where: bonds (distance) C4'-P energy: -4.545 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.756 flat angles P-C4'-P energy: -4.117 tors. eta vs tors. theta energy: -2.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -45.428386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.428386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.428386 (E_RNA) where: Base-Base interactions energy: -25.014 where: short stacking energy: -9.445 Base-Backbone interact. energy: -0.029 local terms energy: -20.384889 where: bonds (distance) C4'-P energy: -4.400 bonds (distance) P-C4' energy: -5.920 flat angles C4'-P-C4' energy: -4.848 flat angles P-C4'-P energy: -5.159 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: 2, replica: 6 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -52.390064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.390064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.390064 (E_RNA) where: Base-Base interactions energy: -27.112 where: short stacking energy: -18.473 Base-Backbone interact. energy: -0.322 local terms energy: -24.956176 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.092 flat angles P-C4'-P energy: -3.609 tors. eta vs tors. theta energy: -4.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -39.762020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.762020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.762020 (E_RNA) where: Base-Base interactions energy: -17.360 where: short stacking energy: -17.360 Base-Backbone interact. energy: -0.004 local terms energy: -22.398476 where: bonds (distance) C4'-P energy: -2.447 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -6.067 flat angles P-C4'-P energy: -2.924 tors. eta vs tors. theta energy: -4.079 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: 10 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -50.435956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.435956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.435956 (E_RNA) where: Base-Base interactions energy: -28.005 where: short stacking energy: -14.381 Base-Backbone interact. energy: -0.001 local terms energy: -22.429971 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -5.865 flat angles P-C4'-P energy: -3.670 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: 5, replica: 5 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -39.799869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.799869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.799869 (E_RNA) where: Base-Base interactions energy: -16.362 where: short stacking energy: -16.362 Base-Backbone interact. energy: -0.000 local terms energy: -23.437879 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -4.410 flat angles P-C4'-P energy: -3.885 tors. eta vs tors. theta energy: -3.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -41.621334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.621334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.621334 (E_RNA) where: Base-Base interactions energy: -18.338 where: short stacking energy: -18.338 Base-Backbone interact. energy: -0.000 local terms energy: -23.283144 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -5.743 flat angles P-C4'-P energy: -4.225 tors. eta vs tors. theta energy: -4.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -37.027077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.027077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.027077 (E_RNA) where: Base-Base interactions energy: -15.847 where: short stacking energy: -15.847 Base-Backbone interact. energy: -0.000 local terms energy: -21.180101 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -3.929 flat angles C4'-P-C4' energy: -5.581 flat angles P-C4'-P energy: -4.191 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: 8, replica: 7 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -35.649642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.649642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.649642 (E_RNA) where: Base-Base interactions energy: -18.783 where: short stacking energy: -8.084 Base-Backbone interact. energy: 0.092 local terms energy: -16.957991 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -5.207 flat angles P-C4'-P energy: -2.451 tors. eta vs tors. theta energy: 1.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -34.264513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.264513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.264513 (E_RNA) where: Base-Base interactions energy: -14.725 where: short stacking energy: -14.725 Base-Backbone interact. energy: -0.000 local terms energy: -19.539477 where: bonds (distance) C4'-P energy: -2.206 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -4.492 flat angles P-C4'-P energy: -3.847 tors. eta vs tors. theta energy: -2.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -37.299483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.299483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.299483 (E_RNA) where: Base-Base interactions energy: -17.354 where: short stacking energy: -17.354 Base-Backbone interact. energy: -0.001 local terms energy: -19.944510 where: bonds (distance) C4'-P energy: -4.276 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.218 flat angles P-C4'-P energy: -0.928 tors. eta vs tors. theta energy: -2.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -47.484753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.484753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.484753 (E_RNA) where: Base-Base interactions energy: -21.843 where: short stacking energy: -21.843 Base-Backbone interact. energy: -0.013 local terms energy: -25.629259 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -5.054 flat angles C4'-P-C4' energy: -5.947 flat angles P-C4'-P energy: -5.039 tors. eta vs tors. theta energy: -4.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -47.630590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.630590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.630590 (E_RNA) where: Base-Base interactions energy: -21.413 where: short stacking energy: -21.413 Base-Backbone interact. energy: -0.043 local terms energy: -26.173938 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -4.586 flat angles P-C4'-P energy: -5.270 tors. eta vs tors. theta energy: -4.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -42.348493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.348493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.348493 (E_RNA) where: Base-Base interactions energy: -16.274 where: short stacking energy: -16.274 Base-Backbone interact. energy: -0.008 local terms energy: -26.066507 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -5.841 flat angles P-C4'-P energy: -4.341 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: 4, replica: 5 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -45.782976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.782976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.782976 (E_RNA) where: Base-Base interactions energy: -19.252 where: short stacking energy: -19.252 Base-Backbone interact. energy: -0.000 local terms energy: -26.531183 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -4.401 flat angles C4'-P-C4' energy: -5.405 flat angles P-C4'-P energy: -4.813 tors. eta vs tors. theta energy: -6.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -45.167126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.167126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.167126 (E_RNA) where: Base-Base interactions energy: -20.184 where: short stacking energy: -20.184 Base-Backbone interact. energy: -0.000 local terms energy: -24.983076 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -3.712 flat angles C4'-P-C4' energy: -6.150 flat angles P-C4'-P energy: -4.263 tors. eta vs tors. theta energy: -5.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -37.092705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.092705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.092705 (E_RNA) where: Base-Base interactions energy: -15.497 where: short stacking energy: -15.497 Base-Backbone interact. energy: -0.000 local terms energy: -21.595667 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.283 flat angles C4'-P-C4' energy: -4.249 flat angles P-C4'-P energy: -3.803 tors. eta vs tors. theta energy: -2.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -34.061920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.061920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.061920 (E_RNA) where: Base-Base interactions energy: -14.444 where: short stacking energy: -14.444 Base-Backbone interact. energy: -0.000 local terms energy: -19.617814 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -5.110 flat angles C4'-P-C4' energy: -4.870 flat angles P-C4'-P energy: -3.624 tors. eta vs tors. theta energy: -0.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -34.949395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.949395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.949395 (E_RNA) where: Base-Base interactions energy: -14.882 where: short stacking energy: -14.882 Base-Backbone interact. energy: -0.000 local terms energy: -20.067636 where: bonds (distance) C4'-P energy: -5.145 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.158 flat angles P-C4'-P energy: -1.570 tors. eta vs tors. theta energy: -2.210 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: 7 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -30.613752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.613752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.613752 (E_RNA) where: Base-Base interactions energy: -11.612 where: short stacking energy: -6.271 Base-Backbone interact. energy: -0.006 local terms energy: -18.995157 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.461 flat angles P-C4'-P energy: -2.458 tors. eta vs tors. theta energy: 0.285 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: 3 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -31.423672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.423672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.423672 (E_RNA) where: Base-Base interactions energy: -11.858 where: short stacking energy: -11.858 Base-Backbone interact. energy: -0.005 local terms energy: -19.560542 where: bonds (distance) C4'-P energy: -5.145 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -4.855 flat angles P-C4'-P energy: -1.181 tors. eta vs tors. theta energy: -1.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -44.590958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.590958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.590958 (E_RNA) where: Base-Base interactions energy: -23.110 where: short stacking energy: -13.329 Base-Backbone interact. energy: 1.713 local terms energy: -23.194004 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.694 flat angles P-C4'-P energy: -4.441 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: 2, replica: 4 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -52.528448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.528448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.528448 (E_RNA) where: Base-Base interactions energy: -24.243 where: short stacking energy: -24.243 Base-Backbone interact. energy: -0.000 local terms energy: -28.285893 where: bonds (distance) C4'-P energy: -5.716 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -4.773 flat angles P-C4'-P energy: -4.043 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: 3, replica: 5 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -51.903929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.903929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.903929 (E_RNA) where: Base-Base interactions energy: -25.334 where: short stacking energy: -25.334 Base-Backbone interact. energy: -0.000 local terms energy: -26.569570 where: bonds (distance) C4'-P energy: -2.944 bonds (distance) P-C4' energy: -6.361 flat angles C4'-P-C4' energy: -5.922 flat angles P-C4'-P energy: -4.694 tors. eta vs tors. theta energy: -6.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -44.322470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.322470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.322470 (E_RNA) where: Base-Base interactions energy: -20.053 where: short stacking energy: -20.053 Base-Backbone interact. energy: -0.000 local terms energy: -24.269805 where: bonds (distance) C4'-P energy: -4.098 bonds (distance) P-C4' energy: -5.603 flat angles C4'-P-C4' energy: -6.224 flat angles P-C4'-P energy: -3.766 tors. eta vs tors. theta energy: -4.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -40.980697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.980697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.980697 (E_RNA) where: Base-Base interactions energy: -18.017 where: short stacking energy: -18.017 Base-Backbone interact. energy: -0.000 local terms energy: -22.963478 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -2.624 flat angles P-C4'-P energy: -4.154 tors. eta vs tors. theta energy: -4.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -38.304788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.304788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.304788 (E_RNA) where: Base-Base interactions energy: -15.251 where: short stacking energy: -14.222 Base-Backbone interact. energy: -0.006 local terms energy: -23.047627 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.942 flat angles P-C4'-P energy: -4.021 tors. eta vs tors. theta energy: -0.417 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: 260 Temperature: 1.200000 Total energy: -35.931381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.931381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.931381 (E_RNA) where: Base-Base interactions energy: -12.737 where: short stacking energy: -12.737 Base-Backbone interact. energy: -0.000 local terms energy: -23.193877 where: bonds (distance) C4'-P energy: -4.238 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -4.833 flat angles P-C4'-P energy: -3.914 tors. eta vs tors. theta energy: -3.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -40.306597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.306597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.306597 (E_RNA) where: Base-Base interactions energy: -15.150 where: short stacking energy: -15.150 Base-Backbone interact. energy: -0.000 local terms energy: -25.156669 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -5.445 flat angles C4'-P-C4' energy: -4.326 flat angles P-C4'-P energy: -4.580 tors. eta vs tors. theta energy: -4.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -34.385327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.385327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.385327 (E_RNA) where: Base-Base interactions energy: -17.954 where: short stacking energy: -17.954 Base-Backbone interact. energy: -0.000 local terms energy: -16.431198 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -4.677 flat angles C4'-P-C4' energy: -3.655 flat angles P-C4'-P energy: 0.762 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: 10, replica: 7 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -32.818456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.818456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.818456 (E_RNA) where: Base-Base interactions energy: -11.629 where: short stacking energy: -11.629 Base-Backbone interact. energy: -0.000 local terms energy: -21.189572 where: bonds (distance) C4'-P energy: -4.619 bonds (distance) P-C4' energy: -4.463 flat angles C4'-P-C4' energy: -4.664 flat angles P-C4'-P energy: -2.473 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: 1, replica: 9 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -44.874802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.874802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.874802 (E_RNA) where: Base-Base interactions energy: -22.675 where: short stacking energy: -22.675 Base-Backbone interact. energy: -0.000 local terms energy: -22.198898 where: bonds (distance) C4'-P energy: -4.400 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.076 flat angles P-C4'-P energy: -3.482 tors. eta vs tors. theta energy: -2.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -49.628282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.628282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.628282 (E_RNA) where: Base-Base interactions energy: -22.281 where: short stacking energy: -22.281 Base-Backbone interact. energy: -0.000 local terms energy: -27.347585 where: bonds (distance) C4'-P energy: -4.169 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.614 flat angles P-C4'-P energy: -4.255 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: 3, replica: 4 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -54.607285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.607285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.607285 (E_RNA) where: Base-Base interactions energy: -26.015 where: short stacking energy: -26.015 Base-Backbone interact. energy: -0.000 local terms energy: -28.591870 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -6.695 flat angles P-C4'-P energy: -4.136 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: 4, replica: 1 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -38.751918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.751918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.751918 (E_RNA) where: Base-Base interactions energy: -12.506 where: short stacking energy: -12.506 Base-Backbone interact. energy: -0.000 local terms energy: -26.245630 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.107 flat angles P-C4'-P energy: -4.919 tors. eta vs tors. theta energy: -5.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -43.593433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.593433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.593433 (E_RNA) where: Base-Base interactions energy: -15.504 where: short stacking energy: -15.504 Base-Backbone interact. energy: -0.000 local terms energy: -28.089385 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -5.798 flat angles P-C4'-P energy: -4.473 tors. eta vs tors. theta energy: -5.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -35.970724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.970724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.970724 (E_RNA) where: Base-Base interactions energy: -13.916 where: short stacking energy: -10.173 Base-Backbone interact. energy: -0.100 local terms energy: -21.954950 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.326 flat angles P-C4'-P energy: -4.215 tors. eta vs tors. theta energy: -0.099 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: 10 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -38.167761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.167761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.167761 (E_RNA) where: Base-Base interactions energy: -16.646 where: short stacking energy: -16.646 Base-Backbone interact. energy: -0.010 local terms energy: -21.512707 where: bonds (distance) C4'-P energy: -4.983 bonds (distance) P-C4' energy: -6.357 flat angles C4'-P-C4' energy: -4.957 flat angles P-C4'-P energy: -2.727 tors. eta vs tors. theta energy: -2.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -33.730916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.730916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.730916 (E_RNA) where: Base-Base interactions energy: -14.290 where: short stacking energy: -14.290 Base-Backbone interact. energy: -0.000 local terms energy: -19.440485 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -5.553 flat angles P-C4'-P energy: -0.024 tors. eta vs tors. theta energy: -3.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -34.130203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.130203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.130203 (E_RNA) where: Base-Base interactions energy: -12.250 where: short stacking energy: -12.250 Base-Backbone interact. energy: -0.000 local terms energy: -21.880603 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.149 flat angles C4'-P-C4' energy: -5.223 flat angles P-C4'-P energy: -1.339 tors. eta vs tors. theta energy: -3.047 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: 7 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -30.791879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.791879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.791879 (E_RNA) where: Base-Base interactions energy: -10.322 where: short stacking energy: -10.322 Base-Backbone interact. energy: -0.004 local terms energy: -20.465776 where: bonds (distance) C4'-P energy: -3.957 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.194 flat angles P-C4'-P energy: -3.415 tors. eta vs tors. theta energy: -1.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -47.478761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.478761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.478761 (E_RNA) where: Base-Base interactions energy: -21.589 where: short stacking energy: -21.589 Base-Backbone interact. energy: -0.002 local terms energy: -25.888335 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -5.553 flat angles P-C4'-P energy: -2.203 tors. eta vs tors. theta energy: -6.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -39.409565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.409565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.409565 (E_RNA) where: Base-Base interactions energy: -15.768 where: short stacking energy: -15.768 Base-Backbone interact. energy: -0.100 local terms energy: -23.541481 where: bonds (distance) C4'-P energy: -4.639 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -4.459 flat angles P-C4'-P energy: -4.619 tors. eta vs tors. theta energy: -2.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -48.475621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.475621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.475621 (E_RNA) where: Base-Base interactions energy: -22.801 where: short stacking energy: -22.801 Base-Backbone interact. energy: -0.000 local terms energy: -25.674714 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.420 flat angles C4'-P-C4' energy: -4.092 flat angles P-C4'-P energy: -3.772 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: 4, replica: 4 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -44.892807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.892807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.892807 (E_RNA) where: Base-Base interactions energy: -19.196 where: short stacking energy: -19.196 Base-Backbone interact. energy: -0.000 local terms energy: -25.696659 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -2.272 flat angles P-C4'-P energy: -5.082 tors. eta vs tors. theta energy: -5.560 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: 8 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -41.923843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.923843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.923843 (E_RNA) where: Base-Base interactions energy: -18.716 where: short stacking energy: -18.716 Base-Backbone interact. energy: -0.000 local terms energy: -23.207333 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -2.852 flat angles C4'-P-C4' energy: -6.044 flat angles P-C4'-P energy: -3.906 tors. eta vs tors. theta energy: -4.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -37.988944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.988944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.988944 (E_RNA) where: Base-Base interactions energy: -13.386 where: short stacking energy: -13.386 Base-Backbone interact. energy: -0.000 local terms energy: -24.602427 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.523 flat angles P-C4'-P energy: -3.201 tors. eta vs tors. theta energy: -4.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -31.026671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.026671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.026671 (E_RNA) where: Base-Base interactions energy: -11.923 where: short stacking energy: -11.923 Base-Backbone interact. energy: -0.000 local terms energy: -19.103587 where: bonds (distance) C4'-P energy: -3.932 bonds (distance) P-C4' energy: -4.688 flat angles C4'-P-C4' energy: -3.003 flat angles P-C4'-P energy: -3.302 tors. eta vs tors. theta energy: -4.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -33.487350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.487350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.487350 (E_RNA) where: Base-Base interactions energy: -6.950 where: short stacking energy: -6.950 Base-Backbone interact. energy: -0.000 local terms energy: -26.537410 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -5.684 flat angles P-C4'-P energy: -4.459 tors. eta vs tors. theta energy: -4.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -29.475359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.475359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.475359 (E_RNA) where: Base-Base interactions energy: -12.424 where: short stacking energy: -9.090 Base-Backbone interact. energy: -0.299 local terms energy: -16.752447 where: bonds (distance) C4'-P energy: -4.719 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -4.647 flat angles P-C4'-P energy: -2.483 tors. eta vs tors. theta energy: 0.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -32.673247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.673247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.673247 (E_RNA) where: Base-Base interactions energy: -13.618 where: short stacking energy: -9.355 Base-Backbone interact. energy: -0.033 local terms energy: -19.022254 where: bonds (distance) C4'-P energy: -4.135 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -4.613 flat angles P-C4'-P energy: -2.725 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: 5 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -52.347386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.347386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.347386 (E_RNA) where: Base-Base interactions energy: -26.926 where: short stacking energy: -26.926 Base-Backbone interact. energy: -0.000 local terms energy: -25.421462 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.811 flat angles P-C4'-P energy: -1.757 tors. eta vs tors. theta energy: -6.069 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: 1 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -46.432142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.432142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.432142 (E_RNA) where: Base-Base interactions energy: -19.562 where: short stacking energy: -19.562 Base-Backbone interact. energy: -0.000 local terms energy: -26.870512 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.654 flat angles P-C4'-P energy: -1.107 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: 3, replica: 9 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -46.701809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.701809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.701809 (E_RNA) where: Base-Base interactions energy: -26.320 where: short stacking energy: -19.354 Base-Backbone interact. energy: -0.126 local terms energy: -20.255441 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.201 flat angles P-C4'-P energy: -2.759 tors. eta vs tors. theta energy: -1.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -54.101632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.101632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.101632 (E_RNA) where: Base-Base interactions energy: -25.428 where: short stacking energy: -25.428 Base-Backbone interact. energy: -0.000 local terms energy: -28.674078 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.443 flat angles P-C4'-P energy: -4.304 tors. eta vs tors. theta energy: -6.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -39.737604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.737604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.737604 (E_RNA) where: Base-Base interactions energy: -18.665 where: short stacking energy: -15.551 Base-Backbone interact. energy: -0.600 local terms energy: -20.472814 where: bonds (distance) C4'-P energy: -3.920 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -3.053 flat angles P-C4'-P energy: -3.354 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: 6, replica: 3 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -37.563819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.563819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.563819 (E_RNA) where: Base-Base interactions energy: -13.563 where: short stacking energy: -11.989 Base-Backbone interact. energy: -0.031 local terms energy: -23.969949 where: bonds (distance) C4'-P energy: -4.869 bonds (distance) P-C4' energy: -6.125 flat angles C4'-P-C4' energy: -4.454 flat angles P-C4'-P energy: -4.938 tors. eta vs tors. theta energy: -3.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -40.312474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.312474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.312474 (E_RNA) where: Base-Base interactions energy: -16.157 where: short stacking energy: -16.157 Base-Backbone interact. energy: -0.005 local terms energy: -24.150331 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.535 flat angles P-C4'-P energy: -2.557 tors. eta vs tors. theta energy: -5.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -33.342720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.342720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.342720 (E_RNA) where: Base-Base interactions energy: -14.430 where: short stacking energy: -14.430 Base-Backbone interact. energy: -0.040 local terms energy: -18.872641 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -5.054 flat angles C4'-P-C4' energy: -2.008 flat angles P-C4'-P energy: -3.073 tors. eta vs tors. theta energy: -2.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -31.435122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.435122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.435122 (E_RNA) where: Base-Base interactions energy: -11.631 where: short stacking energy: -5.139 Base-Backbone interact. energy: -0.009 local terms energy: -19.795025 where: bonds (distance) C4'-P energy: -4.284 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -3.771 flat angles P-C4'-P energy: -5.686 tors. eta vs tors. theta energy: -0.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -34.576264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.576264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.576264 (E_RNA) where: Base-Base interactions energy: -13.189 where: short stacking energy: -13.189 Base-Backbone interact. energy: -0.091 local terms energy: -21.296669 where: bonds (distance) C4'-P energy: -3.423 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.590 flat angles P-C4'-P energy: -3.359 tors. eta vs tors. theta energy: -3.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -56.202437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.202437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.202437 (E_RNA) where: Base-Base interactions energy: -32.832 where: short stacking energy: -13.067 Base-Backbone interact. energy: -0.002 local terms energy: -23.368884 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.668 flat angles C4'-P-C4' energy: -5.395 flat angles P-C4'-P energy: -3.348 tors. eta vs tors. theta energy: -2.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -50.350799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.350799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.350799 (E_RNA) where: Base-Base interactions energy: -22.754 where: short stacking energy: -22.754 Base-Backbone interact. energy: -0.000 local terms energy: -27.596315 where: bonds (distance) C4'-P energy: -4.624 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.961 flat angles P-C4'-P energy: -4.138 tors. eta vs tors. theta energy: -6.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -41.695429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.695429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.695429 (E_RNA) where: Base-Base interactions energy: -18.601 where: short stacking energy: -18.601 Base-Backbone interact. energy: -0.000 local terms energy: -23.094429 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -4.406 flat angles P-C4'-P energy: -5.141 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: 4, replica: 9 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -36.639477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.639477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.639477 (E_RNA) where: Base-Base interactions energy: -14.114 where: short stacking energy: -14.114 Base-Backbone interact. energy: -0.044 local terms energy: -22.481428 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.814 flat angles P-C4'-P energy: -3.492 tors. eta vs tors. theta energy: -0.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -49.856267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.856267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.856267 (E_RNA) where: Base-Base interactions energy: -28.975 where: short stacking energy: -14.685 Base-Backbone interact. energy: -0.001 local terms energy: -20.880206 where: bonds (distance) C4'-P energy: -5.241 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -3.224 flat angles P-C4'-P energy: -0.966 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: 6, replica: 4 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -33.728806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.728806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.728806 (E_RNA) where: Base-Base interactions energy: -13.869 where: short stacking energy: -13.869 Base-Backbone interact. energy: -0.095 local terms energy: -19.765257 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -1.919 flat angles P-C4'-P energy: -2.230 tors. eta vs tors. theta energy: -3.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -39.648883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.648883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.648883 (E_RNA) where: Base-Base interactions energy: -20.377 where: short stacking energy: -20.377 Base-Backbone interact. energy: 0.723 local terms energy: -19.995742 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -3.960 flat angles P-C4'-P energy: -2.024 tors. eta vs tors. theta energy: -2.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -38.376692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.376692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.376692 (E_RNA) where: Base-Base interactions energy: -15.418 where: short stacking energy: -15.418 Base-Backbone interact. energy: -0.000 local terms energy: -22.958190 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -4.793 flat angles P-C4'-P energy: -2.382 tors. eta vs tors. theta energy: -4.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -36.956434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.956434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.956434 (E_RNA) where: Base-Base interactions energy: -16.073 where: short stacking energy: -16.073 Base-Backbone interact. energy: -0.286 local terms energy: -20.597410 where: bonds (distance) C4'-P energy: -4.647 bonds (distance) P-C4' energy: -5.128 flat angles C4'-P-C4' energy: -1.073 flat angles P-C4'-P energy: -4.341 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: 10, replica: 10 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -31.141971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.141971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.141971 (E_RNA) where: Base-Base interactions energy: -10.017 where: short stacking energy: -10.017 Base-Backbone interact. energy: -0.002 local terms energy: -21.123278 where: bonds (distance) C4'-P energy: -5.509 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.343 flat angles P-C4'-P energy: -2.885 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: 1, replica: 5 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -54.714827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.714827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.714827 (E_RNA) where: Base-Base interactions energy: -29.519 where: short stacking energy: -11.347 Base-Backbone interact. energy: -0.009 local terms energy: -25.187033 where: bonds (distance) C4'-P energy: -5.163 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.465 flat angles P-C4'-P energy: -3.777 tors. eta vs tors. theta energy: -3.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -51.756773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.756773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.756773 (E_RNA) where: Base-Base interactions energy: -24.477 where: short stacking energy: -24.477 Base-Backbone interact. energy: -0.000 local terms energy: -27.280235 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -5.193 flat angles P-C4'-P energy: -5.174 tors. eta vs tors. theta energy: -6.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -47.414689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.414689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.414689 (E_RNA) where: Base-Base interactions energy: -20.322 where: short stacking energy: -20.322 Base-Backbone interact. energy: -0.000 local terms energy: -27.092105 where: bonds (distance) C4'-P energy: -5.737 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -4.324 flat angles P-C4'-P energy: -3.191 tors. eta vs tors. theta energy: -7.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -38.998269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.998269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.998269 (E_RNA) where: Base-Base interactions energy: -18.065 where: short stacking energy: -18.065 Base-Backbone interact. energy: -0.002 local terms energy: -20.931435 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -4.973 flat angles C4'-P-C4' energy: -5.988 flat angles P-C4'-P energy: -1.533 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: 5, replica: 3 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -43.915645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.915645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.915645 (E_RNA) where: Base-Base interactions energy: -19.798 where: short stacking energy: -19.798 Base-Backbone interact. energy: -0.000 local terms energy: -24.117684 where: bonds (distance) C4'-P energy: -3.688 bonds (distance) P-C4' energy: -4.227 flat angles C4'-P-C4' energy: -6.362 flat angles P-C4'-P energy: -4.378 tors. eta vs tors. theta energy: -5.463 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: 7 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -37.773245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.773245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.773245 (E_RNA) where: Base-Base interactions energy: -12.872 where: short stacking energy: -12.872 Base-Backbone interact. energy: -0.000 local terms energy: -24.901339 where: bonds (distance) C4'-P energy: -5.047 bonds (distance) P-C4' energy: -6.202 flat angles C4'-P-C4' energy: -6.297 flat angles P-C4'-P energy: -3.974 tors. eta vs tors. theta energy: -3.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -33.135705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.135705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.135705 (E_RNA) where: Base-Base interactions energy: -13.180 where: short stacking energy: -13.180 Base-Backbone interact. energy: -0.000 local terms energy: -19.955234 where: bonds (distance) C4'-P energy: -5.207 bonds (distance) P-C4' energy: -4.733 flat angles C4'-P-C4' energy: -5.271 flat angles P-C4'-P energy: -2.177 tors. eta vs tors. theta energy: -2.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -41.389066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.389066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.389066 (E_RNA) where: Base-Base interactions energy: -19.882 where: short stacking energy: -19.882 Base-Backbone interact. energy: -0.001 local terms energy: -21.506100 where: bonds (distance) C4'-P energy: -3.908 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.815 flat angles P-C4'-P energy: -1.144 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: 9, replica: 6 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -38.058470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.058470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.058470 (E_RNA) where: Base-Base interactions energy: -18.179 where: short stacking energy: -18.179 Base-Backbone interact. energy: -0.100 local terms energy: -19.779632 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -6.291 flat angles P-C4'-P energy: 1.027 tors. eta vs tors. theta energy: -3.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -33.134911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.134911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.134911 (E_RNA) where: Base-Base interactions energy: -13.197 where: short stacking energy: -13.197 Base-Backbone interact. energy: -0.116 local terms energy: -19.822859 where: bonds (distance) C4'-P energy: -4.764 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -2.854 flat angles P-C4'-P energy: -3.585 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: 1, replica: 8 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -52.069652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.069652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.069652 (E_RNA) where: Base-Base interactions energy: -35.897 where: short stacking energy: -14.585 Base-Backbone interact. energy: -0.603 local terms energy: -15.569491 where: bonds (distance) C4'-P energy: -3.667 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.175 flat angles P-C4'-P energy: -0.933 tors. eta vs tors. theta energy: -0.152 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: 2, replica: 5 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -48.756495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.756495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.756495 (E_RNA) where: Base-Base interactions energy: -27.687 where: short stacking energy: -11.988 Base-Backbone interact. energy: -0.009 local terms energy: -21.060485 where: bonds (distance) C4'-P energy: -5.117 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.719 flat angles P-C4'-P energy: -4.459 tors. eta vs tors. theta energy: -1.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -49.787494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.787494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.787494 (E_RNA) where: Base-Base interactions energy: -28.269 where: short stacking energy: -17.397 Base-Backbone interact. energy: -0.003 local terms energy: -21.515524 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -4.428 flat angles C4'-P-C4' energy: -4.542 flat angles P-C4'-P energy: -3.936 tors. eta vs tors. theta energy: -2.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -44.176499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.176499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.176499 (E_RNA) where: Base-Base interactions energy: -20.302 where: short stacking energy: -20.302 Base-Backbone interact. energy: -0.000 local terms energy: -23.874126 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -3.357 flat angles P-C4'-P energy: -4.544 tors. eta vs tors. theta energy: -3.579 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: 7 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -39.489636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.489636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.489636 (E_RNA) where: Base-Base interactions energy: -17.178 where: short stacking energy: -14.955 Base-Backbone interact. energy: -0.004 local terms energy: -22.307808 where: bonds (distance) C4'-P energy: -4.980 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -5.783 flat angles P-C4'-P energy: -2.928 tors. eta vs tors. theta energy: -2.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -35.663954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.663954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.663954 (E_RNA) where: Base-Base interactions energy: -19.124 where: short stacking energy: -9.046 Base-Backbone interact. energy: -0.188 local terms energy: -16.351839 where: bonds (distance) C4'-P energy: -2.944 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -4.831 flat angles P-C4'-P energy: -3.011 tors. eta vs tors. theta energy: 1.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -37.447434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.447434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.447434 (E_RNA) where: Base-Base interactions energy: -16.165 where: short stacking energy: -7.478 Base-Backbone interact. energy: -0.356 local terms energy: -20.926405 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -3.995 flat angles P-C4'-P energy: -3.079 tors. eta vs tors. theta energy: -1.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -35.655465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.655465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.655465 (E_RNA) where: Base-Base interactions energy: -12.500 where: short stacking energy: -12.500 Base-Backbone interact. energy: -0.001 local terms energy: -23.153689 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -3.800 flat angles C4'-P-C4' energy: -6.453 flat angles P-C4'-P energy: -4.057 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: 9, replica: 10 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -33.757815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.757815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.757815 (E_RNA) where: Base-Base interactions energy: -12.299 where: short stacking energy: -12.299 Base-Backbone interact. energy: -0.000 local terms energy: -21.458422 where: bonds (distance) C4'-P energy: -0.761 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -6.318 flat angles P-C4'-P energy: -3.684 tors. eta vs tors. theta energy: -4.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -32.013977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.013977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.013977 (E_RNA) where: Base-Base interactions energy: -16.596 where: short stacking energy: -16.596 Base-Backbone interact. energy: -0.380 local terms energy: -15.038243 where: bonds (distance) C4'-P energy: -4.177 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -5.663 flat angles P-C4'-P energy: 0.934 tors. eta vs tors. theta energy: -1.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -49.991714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.991714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.991714 (E_RNA) where: Base-Base interactions energy: -24.030 where: short stacking energy: -18.569 Base-Backbone interact. energy: -0.000 local terms energy: -25.961277 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -3.593 flat angles C4'-P-C4' energy: -5.671 flat angles P-C4'-P energy: -5.076 tors. eta vs tors. theta energy: -5.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -47.959864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.959864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.959864 (E_RNA) where: Base-Base interactions energy: -20.957 where: short stacking energy: -20.957 Base-Backbone interact. energy: -0.000 local terms energy: -27.002790 where: bonds (distance) C4'-P energy: -3.663 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -6.140 flat angles P-C4'-P energy: -4.156 tors. eta vs tors. theta energy: -6.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -48.165703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.165703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.165703 (E_RNA) where: Base-Base interactions energy: -22.059 where: short stacking energy: -22.059 Base-Backbone interact. energy: -0.000 local terms energy: -26.106352 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.821 flat angles P-C4'-P energy: -4.106 tors. eta vs tors. theta energy: -4.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -44.283664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.283664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.283664 (E_RNA) where: Base-Base interactions energy: -17.286 where: short stacking energy: -17.286 Base-Backbone interact. energy: -0.000 local terms energy: -26.997710 where: bonds (distance) C4'-P energy: -4.515 bonds (distance) P-C4' energy: -6.163 flat angles C4'-P-C4' energy: -5.770 flat angles P-C4'-P energy: -3.962 tors. eta vs tors. theta energy: -6.587 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: 5, replica: 1 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -42.239912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.239912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.239912 (E_RNA) where: Base-Base interactions energy: -19.016 where: short stacking energy: -19.016 Base-Backbone interact. energy: -0.001 local terms energy: -23.223505 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.699 flat angles C4'-P-C4' energy: -3.933 flat angles P-C4'-P energy: -3.614 tors. eta vs tors. theta energy: -3.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -44.701419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.701419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.701419 (E_RNA) where: Base-Base interactions energy: -19.636 where: short stacking energy: -19.636 Base-Backbone interact. energy: -0.000 local terms energy: -25.065066 where: bonds (distance) C4'-P energy: -4.566 bonds (distance) P-C4' energy: -3.755 flat angles C4'-P-C4' energy: -5.466 flat angles P-C4'-P energy: -3.172 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: 7, replica: 3 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -34.518969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.518969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.518969 (E_RNA) where: Base-Base interactions energy: -14.696 where: short stacking energy: -7.329 Base-Backbone interact. energy: -0.030 local terms energy: -19.793246 where: bonds (distance) C4'-P energy: -3.046 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.444 flat angles P-C4'-P energy: -2.913 tors. eta vs tors. theta energy: -3.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -33.476078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.476078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.476078 (E_RNA) where: Base-Base interactions energy: -19.649 where: short stacking energy: -13.256 Base-Backbone interact. energy: -0.024 local terms energy: -13.803065 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -2.798 flat angles C4'-P-C4' energy: -5.198 flat angles P-C4'-P energy: -0.721 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: 9, replica: 4 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -29.418509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.418509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.418509 (E_RNA) where: Base-Base interactions energy: -10.655 where: short stacking energy: -10.655 Base-Backbone interact. energy: -0.007 local terms energy: -18.756941 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -4.847 flat angles C4'-P-C4' energy: -5.788 flat angles P-C4'-P energy: -1.290 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: 10, replica: 6 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -32.290120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.290120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.290120 (E_RNA) where: Base-Base interactions energy: -13.807 where: short stacking energy: -13.807 Base-Backbone interact. energy: -0.099 local terms energy: -18.383594 where: bonds (distance) C4'-P energy: -3.208 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.781 flat angles P-C4'-P energy: -0.305 tors. eta vs tors. theta energy: -2.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -46.807783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.807783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.807783 (E_RNA) where: Base-Base interactions energy: -20.285 where: short stacking energy: -20.285 Base-Backbone interact. energy: -0.006 local terms energy: -26.516206 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.712 flat angles P-C4'-P energy: -3.688 tors. eta vs tors. theta energy: -5.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -47.182079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.182079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.182079 (E_RNA) where: Base-Base interactions energy: -19.895 where: short stacking energy: -19.895 Base-Backbone interact. energy: -0.000 local terms energy: -27.286596 where: bonds (distance) C4'-P energy: -5.393 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.486 flat angles P-C4'-P energy: -4.981 tors. eta vs tors. theta energy: -5.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -42.170009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.170009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.170009 (E_RNA) where: Base-Base interactions energy: -18.681 where: short stacking energy: -18.681 Base-Backbone interact. energy: -0.082 local terms energy: -23.407648 where: bonds (distance) C4'-P energy: -4.868 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -5.586 flat angles P-C4'-P energy: -4.166 tors. eta vs tors. theta energy: -3.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -47.565020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.565020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.565020 (E_RNA) where: Base-Base interactions energy: -22.019 where: short stacking energy: -16.414 Base-Backbone interact. energy: -0.007 local terms energy: -25.539551 where: bonds (distance) C4'-P energy: -4.548 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -5.393 flat angles P-C4'-P energy: -4.510 tors. eta vs tors. theta energy: -4.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -38.448996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.448996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.448996 (E_RNA) where: Base-Base interactions energy: -20.048 where: short stacking energy: -12.196 Base-Backbone interact. energy: -0.014 local terms energy: -18.386661 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -2.622 flat angles P-C4'-P energy: -3.859 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: 6, replica: 1 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -36.171117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.171117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.171117 (E_RNA) where: Base-Base interactions energy: -12.383 where: short stacking energy: -12.983 Base-Backbone interact. energy: -0.001 local terms energy: -23.787330 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.021 flat angles P-C4'-P energy: -4.930 tors. eta vs tors. theta energy: -2.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -34.780115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.780115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.780115 (E_RNA) where: Base-Base interactions energy: -12.136 where: short stacking energy: -12.136 Base-Backbone interact. energy: -0.002 local terms energy: -22.642531 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.292 flat angles P-C4'-P energy: -2.929 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: 8, replica: 3 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -33.077240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.077240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.077240 (E_RNA) where: Base-Base interactions energy: -12.069 where: short stacking energy: -12.069 Base-Backbone interact. energy: -0.000 local terms energy: -21.008220 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.718 flat angles P-C4'-P energy: -0.513 tors. eta vs tors. theta energy: -2.257 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: 9, replica: 4 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -31.111137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.111137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.111137 (E_RNA) where: Base-Base interactions energy: -12.999 where: short stacking energy: -12.999 Base-Backbone interact. energy: -0.000 local terms energy: -18.111760 where: bonds (distance) C4'-P energy: -4.523 bonds (distance) P-C4' energy: -4.398 flat angles C4'-P-C4' energy: -6.102 flat angles P-C4'-P energy: -2.524 tors. eta vs tors. theta energy: -0.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -34.200744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.200744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.200744 (E_RNA) where: Base-Base interactions energy: -12.743 where: short stacking energy: -12.199 Base-Backbone interact. energy: -0.055 local terms energy: -21.402980 where: bonds (distance) C4'-P energy: -5.117 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -3.942 flat angles P-C4'-P energy: -4.095 tors. eta vs tors. theta energy: -2.054 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: 269 Temperature: 0.900000 Total energy: -51.807295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.807295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.807295 (E_RNA) where: Base-Base interactions energy: -22.800 where: short stacking energy: -22.800 Base-Backbone interact. energy: -0.000 local terms energy: -29.007601 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -5.078 flat angles P-C4'-P energy: -4.670 tors. eta vs tors. theta energy: -6.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -47.271144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.271144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.271144 (E_RNA) where: Base-Base interactions energy: -22.077 where: short stacking energy: -22.077 Base-Backbone interact. energy: -0.000 local terms energy: -25.194088 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -4.058 flat angles P-C4'-P energy: -1.971 tors. eta vs tors. theta energy: -6.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -46.878518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.878518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.878518 (E_RNA) where: Base-Base interactions energy: -25.717 where: short stacking energy: -18.738 Base-Backbone interact. energy: -0.000 local terms energy: -21.161087 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -5.508 flat angles P-C4'-P energy: -1.551 tors. eta vs tors. theta energy: -3.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -53.917287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.917287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.917287 (E_RNA) where: Base-Base interactions energy: -25.998 where: short stacking energy: -25.998 Base-Backbone interact. energy: -0.000 local terms energy: -27.919192 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.621 flat angles P-C4'-P energy: -2.766 tors. eta vs tors. theta energy: -7.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -44.189202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.189202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.189202 (E_RNA) where: Base-Base interactions energy: -20.882 where: short stacking energy: -20.882 Base-Backbone interact. energy: -0.005 local terms energy: -23.301993 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.582 flat angles P-C4'-P energy: -3.004 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: 6, replica: 10 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -39.338864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.338864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.338864 (E_RNA) where: Base-Base interactions energy: -15.707 where: short stacking energy: -15.707 Base-Backbone interact. energy: -0.015 local terms energy: -23.617002 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -4.917 flat angles C4'-P-C4' energy: -4.743 flat angles P-C4'-P energy: -5.008 tors. eta vs tors. theta energy: -3.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -42.028962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.028962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.028962 (E_RNA) where: Base-Base interactions energy: -18.977 where: short stacking energy: -18.977 Base-Backbone interact. energy: -0.069 local terms energy: -22.982710 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.143 flat angles C4'-P-C4' energy: -5.097 flat angles P-C4'-P energy: -3.246 tors. eta vs tors. theta energy: -3.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -35.340946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.340946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.340946 (E_RNA) where: Base-Base interactions energy: -15.810 where: short stacking energy: -15.810 Base-Backbone interact. energy: -0.087 local terms energy: -19.443748 where: bonds (distance) C4'-P energy: -3.994 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -5.301 flat angles P-C4'-P energy: -0.705 tors. eta vs tors. theta energy: -3.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -36.014703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.014703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.014703 (E_RNA) where: Base-Base interactions energy: -16.454 where: short stacking energy: -16.454 Base-Backbone interact. energy: -0.001 local terms energy: -19.560212 where: bonds (distance) C4'-P energy: -4.094 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -3.245 flat angles P-C4'-P energy: -4.489 tors. eta vs tors. theta energy: -1.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -29.229228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.229228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.229228 (E_RNA) where: Base-Base interactions energy: -11.072 where: short stacking energy: -11.072 Base-Backbone interact. energy: -0.000 local terms energy: -18.157488 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.576 flat angles C4'-P-C4' energy: -0.695 flat angles P-C4'-P energy: -3.744 tors. eta vs tors. theta energy: -2.020 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: 1, replica: 7 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -46.150213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.150213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.150213 (E_RNA) where: Base-Base interactions energy: -19.978 where: short stacking energy: -19.978 Base-Backbone interact. energy: -0.000 local terms energy: -26.172487 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -5.936 flat angles P-C4'-P energy: -4.375 tors. eta vs tors. theta energy: -3.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -49.344230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.344230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.344230 (E_RNA) where: Base-Base interactions energy: -19.749 where: short stacking energy: -19.749 Base-Backbone interact. energy: -0.000 local terms energy: -29.595615 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.591 flat angles P-C4'-P energy: -4.481 tors. eta vs tors. theta energy: -6.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -41.183496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.183496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.183496 (E_RNA) where: Base-Base interactions energy: -16.255 where: short stacking energy: -16.255 Base-Backbone interact. energy: -0.000 local terms energy: -24.928329 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.215 flat angles P-C4'-P energy: -3.603 tors. eta vs tors. theta energy: -3.580 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: 8 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -47.801712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.801712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.801712 (E_RNA) where: Base-Base interactions energy: -20.248 where: short stacking energy: -15.200 Base-Backbone interact. energy: -0.000 local terms energy: -27.553663 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -5.128 flat angles P-C4'-P energy: -5.554 tors. eta vs tors. theta energy: -4.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -39.621132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.621132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.621132 (E_RNA) where: Base-Base interactions energy: -12.632 where: short stacking energy: -12.632 Base-Backbone interact. energy: -0.000 local terms energy: -26.989489 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -6.134 flat angles P-C4'-P energy: -4.478 tors. eta vs tors. theta energy: -4.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -35.215490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.215490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.215490 (E_RNA) where: Base-Base interactions energy: -12.854 where: short stacking energy: -12.854 Base-Backbone interact. energy: -0.001 local terms energy: -22.360211 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -5.579 flat angles C4'-P-C4' energy: -6.405 flat angles P-C4'-P energy: -5.423 tors. eta vs tors. theta energy: 0.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -43.621497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.621497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.621497 (E_RNA) where: Base-Base interactions energy: -22.898 where: short stacking energy: -11.979 Base-Backbone interact. energy: -0.067 local terms energy: -20.656592 where: bonds (distance) C4'-P energy: -5.179 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -3.821 flat angles P-C4'-P energy: -0.922 tors. eta vs tors. theta energy: -3.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -37.510696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.510696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.510696 (E_RNA) where: Base-Base interactions energy: -15.510 where: short stacking energy: -12.758 Base-Backbone interact. energy: -0.005 local terms energy: -21.995347 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -4.614 flat angles C4'-P-C4' energy: -5.270 flat angles P-C4'-P energy: -5.077 tors. eta vs tors. theta energy: -1.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -39.381176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.381176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.381176 (E_RNA) where: Base-Base interactions energy: -17.067 where: short stacking energy: -17.067 Base-Backbone interact. energy: -0.000 local terms energy: -22.313749 where: bonds (distance) C4'-P energy: -4.913 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -4.751 flat angles P-C4'-P energy: -3.658 tors. eta vs tors. theta energy: -3.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -32.265498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.265498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.265498 (E_RNA) where: Base-Base interactions energy: -11.318 where: short stacking energy: -11.318 Base-Backbone interact. energy: -0.000 local terms energy: -20.947601 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -3.987 flat angles P-C4'-P energy: -3.581 tors. eta vs tors. theta energy: -0.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -43.075331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.075331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.075331 (E_RNA) where: Base-Base interactions energy: -16.472 where: short stacking energy: -16.472 Base-Backbone interact. energy: -0.009 local terms energy: -26.594791 where: bonds (distance) C4'-P energy: -5.001 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.481 flat angles P-C4'-P energy: -4.786 tors. eta vs tors. theta energy: -4.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -45.057749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.057749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.057749 (E_RNA) where: Base-Base interactions energy: -19.878 where: short stacking energy: -19.878 Base-Backbone interact. energy: -0.067 local terms energy: -25.112587 where: bonds (distance) C4'-P energy: -4.719 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.491 flat angles P-C4'-P energy: -3.589 tors. eta vs tors. theta energy: -5.177 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: 9 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -47.053938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.053938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.053938 (E_RNA) where: Base-Base interactions energy: -22.651 where: short stacking energy: -22.651 Base-Backbone interact. energy: -0.000 local terms energy: -24.402633 where: bonds (distance) C4'-P energy: -4.214 bonds (distance) P-C4' energy: -5.061 flat angles C4'-P-C4' energy: -4.684 flat angles P-C4'-P energy: -2.822 tors. eta vs tors. theta energy: -7.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -48.872203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.872203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.872203 (E_RNA) where: Base-Base interactions energy: -22.966 where: short stacking energy: -22.966 Base-Backbone interact. energy: -0.000 local terms energy: -25.905992 where: bonds (distance) C4'-P energy: -4.089 bonds (distance) P-C4' energy: -6.361 flat angles C4'-P-C4' energy: -6.325 flat angles P-C4'-P energy: -3.024 tors. eta vs tors. theta energy: -6.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -44.691597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.691597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.691597 (E_RNA) where: Base-Base interactions energy: -17.771 where: short stacking energy: -17.771 Base-Backbone interact. energy: -0.000 local terms energy: -26.920989 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -5.739 flat angles P-C4'-P energy: -4.455 tors. eta vs tors. theta energy: -5.077 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: 4 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -35.846444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.846444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.846444 (E_RNA) where: Base-Base interactions energy: -16.877 where: short stacking energy: -16.877 Base-Backbone interact. energy: -0.021 local terms energy: -18.948310 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -3.269 flat angles C4'-P-C4' energy: -2.487 flat angles P-C4'-P energy: -4.375 tors. eta vs tors. theta energy: -2.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -40.430178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.430178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.430178 (E_RNA) where: Base-Base interactions energy: -16.612 where: short stacking energy: -16.612 Base-Backbone interact. energy: -0.000 local terms energy: -23.818320 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -6.061 flat angles P-C4'-P energy: -3.524 tors. eta vs tors. theta energy: -3.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -37.812318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.812318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.812318 (E_RNA) where: Base-Base interactions energy: -15.022 where: short stacking energy: -15.022 Base-Backbone interact. energy: -0.016 local terms energy: -22.774448 where: bonds (distance) C4'-P energy: -3.717 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -5.351 flat angles P-C4'-P energy: -4.563 tors. eta vs tors. theta energy: -3.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -29.061235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.061235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.061235 (E_RNA) where: Base-Base interactions energy: -13.441 where: short stacking energy: -13.441 Base-Backbone interact. energy: -0.023 local terms energy: -15.596941 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -4.293 flat angles C4'-P-C4' energy: -4.959 flat angles P-C4'-P energy: -0.209 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: 3 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -36.957158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.957158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.957158 (E_RNA) where: Base-Base interactions energy: -14.180 where: short stacking energy: -14.180 Base-Backbone interact. energy: -0.000 local terms energy: -22.777645 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -6.574 flat angles P-C4'-P energy: -2.936 tors. eta vs tors. theta energy: -3.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -51.085947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.085947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.085947 (E_RNA) where: Base-Base interactions energy: -22.432 where: short stacking energy: -22.432 Base-Backbone interact. energy: -0.000 local terms energy: -28.654162 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.974 flat angles P-C4'-P energy: -4.775 tors. eta vs tors. theta energy: -5.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -47.942952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.942952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.942952 (E_RNA) where: Base-Base interactions energy: -26.391 where: short stacking energy: -13.952 Base-Backbone interact. energy: -0.032 local terms energy: -21.520260 where: bonds (distance) C4'-P energy: -4.106 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -5.666 flat angles P-C4'-P energy: -4.171 tors. eta vs tors. theta energy: -1.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -47.616447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.616447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.616447 (E_RNA) where: Base-Base interactions energy: -23.387 where: short stacking energy: -23.387 Base-Backbone interact. energy: -0.000 local terms energy: -24.229173 where: bonds (distance) C4'-P energy: -4.169 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -2.896 flat angles P-C4'-P energy: -4.259 tors. eta vs tors. theta energy: -6.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -51.655080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.655080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.655080 (E_RNA) where: Base-Base interactions energy: -22.846 where: short stacking energy: -22.846 Base-Backbone interact. energy: -0.000 local terms energy: -28.809524 where: bonds (distance) C4'-P energy: -4.756 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.172 flat angles P-C4'-P energy: -4.340 tors. eta vs tors. theta energy: -7.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -39.345420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.345420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.345420 (E_RNA) where: Base-Base interactions energy: -16.332 where: short stacking energy: -16.332 Base-Backbone interact. energy: -0.053 local terms energy: -22.959976 where: bonds (distance) C4'-P energy: -5.207 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -4.383 flat angles P-C4'-P energy: -4.043 tors. eta vs tors. theta energy: -3.818 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: 8 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -39.843288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.843288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.843288 (E_RNA) where: Base-Base interactions energy: -16.722 where: short stacking energy: -16.722 Base-Backbone interact. energy: -0.000 local terms energy: -23.121490 where: bonds (distance) C4'-P energy: -3.333 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.317 flat angles P-C4'-P energy: -4.677 tors. eta vs tors. theta energy: -3.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -37.600921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.600921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.600921 (E_RNA) where: Base-Base interactions energy: -12.473 where: short stacking energy: -12.473 Base-Backbone interact. energy: -0.009 local terms energy: -25.118793 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.149 flat angles P-C4'-P energy: -5.005 tors. eta vs tors. theta energy: -2.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -32.544890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.544890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.544890 (E_RNA) where: Base-Base interactions energy: -9.272 where: short stacking energy: -9.272 Base-Backbone interact. energy: -0.003 local terms energy: -23.269748 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -5.334 flat angles C4'-P-C4' energy: -6.039 flat angles P-C4'-P energy: -4.031 tors. eta vs tors. theta energy: -2.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -31.577007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.577007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.577007 (E_RNA) where: Base-Base interactions energy: -7.803 where: short stacking energy: -7.803 Base-Backbone interact. energy: -0.002 local terms energy: -23.772008 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -5.610 flat angles C4'-P-C4' energy: -4.712 flat angles P-C4'-P energy: -4.371 tors. eta vs tors. theta energy: -3.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -36.021741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.021741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.021741 (E_RNA) where: Base-Base interactions energy: -18.461 where: short stacking energy: -18.461 Base-Backbone interact. energy: -0.008 local terms energy: -17.552997 where: bonds (distance) C4'-P energy: -4.727 bonds (distance) P-C4' energy: -3.994 flat angles C4'-P-C4' energy: -4.346 flat angles P-C4'-P energy: -1.248 tors. eta vs tors. theta energy: -3.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -52.810875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.810875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.810875 (E_RNA) where: Base-Base interactions energy: -27.685 where: short stacking energy: -27.685 Base-Backbone interact. energy: -0.000 local terms energy: -25.126257 where: bonds (distance) C4'-P energy: -3.928 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.537 flat angles P-C4'-P energy: -2.904 tors. eta vs tors. theta energy: -5.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -52.091630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.091630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.091630 (E_RNA) where: Base-Base interactions energy: -24.671 where: short stacking energy: -24.671 Base-Backbone interact. energy: -0.000 local terms energy: -27.420240 where: bonds (distance) C4'-P energy: -5.729 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -5.362 flat angles P-C4'-P energy: -3.859 tors. eta vs tors. theta energy: -6.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -48.015642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.015642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.015642 (E_RNA) where: Base-Base interactions energy: -23.295 where: short stacking energy: -23.295 Base-Backbone interact. energy: -0.000 local terms energy: -24.720827 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -4.474 flat angles P-C4'-P energy: -2.740 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: 4, replica: 10 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -45.119848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.119848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.119848 (E_RNA) where: Base-Base interactions energy: -17.545 where: short stacking energy: -17.545 Base-Backbone interact. energy: -0.000 local terms energy: -27.575199 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -5.871 flat angles C4'-P-C4' energy: -4.640 flat angles P-C4'-P energy: -5.260 tors. eta vs tors. theta energy: -5.807 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: 273 Temperature: 1.100000 Total energy: -49.551344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.551344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.551344 (E_RNA) where: Base-Base interactions energy: -22.499 where: short stacking energy: -22.499 Base-Backbone interact. energy: -0.000 local terms energy: -27.052699 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -4.233 flat angles C4'-P-C4' energy: -6.273 flat angles P-C4'-P energy: -2.958 tors. eta vs tors. theta energy: -7.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -41.294182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.294182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.294182 (E_RNA) where: Base-Base interactions energy: -16.735 where: short stacking energy: -16.735 Base-Backbone interact. energy: -0.089 local terms energy: -24.469797 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.066 flat angles P-C4'-P energy: -4.444 tors. eta vs tors. theta energy: -2.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -42.962712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.962712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.962712 (E_RNA) where: Base-Base interactions energy: -24.136 where: short stacking energy: -8.885 Base-Backbone interact. energy: -0.005 local terms energy: -18.821636 where: bonds (distance) C4'-P energy: -4.570 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -3.471 flat angles P-C4'-P energy: -2.499 tors. eta vs tors. theta energy: -1.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -40.364356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.364356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.364356 (E_RNA) where: Base-Base interactions energy: -14.749 where: short stacking energy: -14.749 Base-Backbone interact. energy: -0.003 local terms energy: -25.611591 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -6.107 flat angles P-C4'-P energy: -3.389 tors. eta vs tors. theta energy: -3.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -34.715290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.715290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.715290 (E_RNA) where: Base-Base interactions energy: -17.314 where: short stacking energy: -9.517 Base-Backbone interact. energy: -0.063 local terms energy: -17.337994 where: bonds (distance) C4'-P energy: -4.214 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -2.805 flat angles P-C4'-P energy: -3.452 tors. eta vs tors. theta energy: 0.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -37.068976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.068976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.068976 (E_RNA) where: Base-Base interactions energy: -15.774 where: short stacking energy: -15.774 Base-Backbone interact. energy: -0.000 local terms energy: -21.294849 where: bonds (distance) C4'-P energy: -4.231 bonds (distance) P-C4' energy: -6.149 flat angles C4'-P-C4' energy: -3.921 flat angles P-C4'-P energy: -4.773 tors. eta vs tors. theta energy: -2.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -47.402402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.402402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.402402 (E_RNA) where: Base-Base interactions energy: -21.462 where: short stacking energy: -21.462 Base-Backbone interact. energy: -0.000 local terms energy: -25.940019 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -4.168 flat angles C4'-P-C4' energy: -6.187 flat angles P-C4'-P energy: -4.027 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: 2, replica: 5 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -45.415260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.415260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.415260 (E_RNA) where: Base-Base interactions energy: -21.672 where: short stacking energy: -17.479 Base-Backbone interact. energy: -0.051 local terms energy: -23.692198 where: bonds (distance) C4'-P energy: -5.365 bonds (distance) P-C4' energy: -5.864 flat angles C4'-P-C4' energy: -6.056 flat angles P-C4'-P energy: -2.888 tors. eta vs tors. theta energy: -3.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -42.590079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.590079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.590079 (E_RNA) where: Base-Base interactions energy: -20.819 where: short stacking energy: -20.819 Base-Backbone interact. energy: -0.011 local terms energy: -21.759755 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -4.533 flat angles C4'-P-C4' energy: -4.602 flat angles P-C4'-P energy: -2.721 tors. eta vs tors. theta energy: -4.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -44.135726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.135726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.135726 (E_RNA) where: Base-Base interactions energy: -16.206 where: short stacking energy: -16.206 Base-Backbone interact. energy: -0.005 local terms energy: -27.924547 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.152 flat angles P-C4'-P energy: -4.466 tors. eta vs tors. theta energy: -4.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -38.326682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.326682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.326682 (E_RNA) where: Base-Base interactions energy: -15.269 where: short stacking energy: -10.448 Base-Backbone interact. energy: -0.083 local terms energy: -22.974870 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -5.205 flat angles C4'-P-C4' energy: -4.634 flat angles P-C4'-P energy: -4.317 tors. eta vs tors. theta energy: -2.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -39.660955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.660955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.660955 (E_RNA) where: Base-Base interactions energy: -17.859 where: short stacking energy: -14.906 Base-Backbone interact. energy: -0.615 local terms energy: -21.186599 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -5.156 flat angles C4'-P-C4' energy: -4.273 flat angles P-C4'-P energy: -3.582 tors. eta vs tors. theta energy: -3.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -35.155091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.155091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.155091 (E_RNA) where: Base-Base interactions energy: -16.068 where: short stacking energy: -16.068 Base-Backbone interact. energy: -0.017 local terms energy: -19.070033 where: bonds (distance) C4'-P energy: -3.440 bonds (distance) P-C4' energy: -3.966 flat angles C4'-P-C4' energy: -3.262 flat angles P-C4'-P energy: -4.772 tors. eta vs tors. theta energy: -3.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -34.568424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.568424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.568424 (E_RNA) where: Base-Base interactions energy: -22.663 where: short stacking energy: -9.220 Base-Backbone interact. energy: 1.040 local terms energy: -12.945606 where: bonds (distance) C4'-P energy: -2.756 bonds (distance) P-C4' energy: -2.233 flat angles C4'-P-C4' energy: -3.509 flat angles P-C4'-P energy: -4.618 tors. eta vs tors. theta energy: 0.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -33.791154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.791154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.791154 (E_RNA) where: Base-Base interactions energy: -15.293 where: short stacking energy: -15.293 Base-Backbone interact. energy: -0.362 local terms energy: -18.136728 where: bonds (distance) C4'-P energy: -1.453 bonds (distance) P-C4' energy: -5.864 flat angles C4'-P-C4' energy: -2.676 flat angles P-C4'-P energy: -3.980 tors. eta vs tors. theta energy: -4.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -39.075436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.075436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.075436 (E_RNA) where: Base-Base interactions energy: -14.986 where: short stacking energy: -14.986 Base-Backbone interact. energy: -0.000 local terms energy: -24.089669 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -5.082 flat angles C4'-P-C4' energy: -5.794 flat angles P-C4'-P energy: -2.472 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: 1, replica: 9 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -50.459956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.459956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.459956 (E_RNA) where: Base-Base interactions energy: -22.396 where: short stacking energy: -22.396 Base-Backbone interact. energy: -0.000 local terms energy: -28.063833 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -5.145 flat angles P-C4'-P energy: -3.529 tors. eta vs tors. theta energy: -6.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -46.592318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.592318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.592318 (E_RNA) where: Base-Base interactions energy: -20.618 where: short stacking energy: -20.618 Base-Backbone interact. energy: -0.000 local terms energy: -25.974649 where: bonds (distance) C4'-P energy: -4.980 bonds (distance) P-C4' energy: -5.085 flat angles C4'-P-C4' energy: -5.279 flat angles P-C4'-P energy: -5.269 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: 3, replica: 5 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -42.897436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.897436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.897436 (E_RNA) where: Base-Base interactions energy: -21.342 where: short stacking energy: -19.266 Base-Backbone interact. energy: 0.429 local terms energy: -21.984748 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -4.647 flat angles C4'-P-C4' energy: -4.899 flat angles P-C4'-P energy: -4.103 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: 4, replica: 6 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -42.768243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.768243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.768243 (E_RNA) where: Base-Base interactions energy: -19.343 where: short stacking energy: -16.027 Base-Backbone interact. energy: -0.000 local terms energy: -23.425332 where: bonds (distance) C4'-P energy: -4.176 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -5.231 flat angles P-C4'-P energy: -2.781 tors. eta vs tors. theta energy: -5.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -38.769313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.769313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.769313 (E_RNA) where: Base-Base interactions energy: -19.840 where: short stacking energy: -13.082 Base-Backbone interact. energy: -0.079 local terms energy: -18.850548 where: bonds (distance) C4'-P energy: -3.150 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -5.820 flat angles P-C4'-P energy: -4.422 tors. eta vs tors. theta energy: 0.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -42.647117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.647117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.647117 (E_RNA) where: Base-Base interactions energy: -16.113 where: short stacking energy: -16.113 Base-Backbone interact. energy: -0.000 local terms energy: -26.534018 where: bonds (distance) C4'-P energy: -3.655 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -6.166 flat angles P-C4'-P energy: -5.175 tors. eta vs tors. theta energy: -5.836 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: 4 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -39.248438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.248438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.248438 (E_RNA) where: Base-Base interactions energy: -17.364 where: short stacking energy: -9.482 Base-Backbone interact. energy: -0.018 local terms energy: -21.866284 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.443 flat angles P-C4'-P energy: -3.371 tors. eta vs tors. theta energy: -0.152 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: 1 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -41.555378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.555378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.555378 (E_RNA) where: Base-Base interactions energy: -19.308 where: short stacking energy: -19.308 Base-Backbone interact. energy: -0.000 local terms energy: -22.247184 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -3.124 flat angles C4'-P-C4' energy: -6.284 flat angles P-C4'-P energy: -2.758 tors. eta vs tors. theta energy: -3.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -34.881361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.881361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.881361 (E_RNA) where: Base-Base interactions energy: -13.288 where: short stacking energy: -13.288 Base-Backbone interact. energy: -0.034 local terms energy: -21.559668 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.146 flat angles P-C4'-P energy: -2.097 tors. eta vs tors. theta energy: -1.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -38.855560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.855560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.855560 (E_RNA) where: Base-Base interactions energy: -17.027 where: short stacking energy: -17.027 Base-Backbone interact. energy: -0.081 local terms energy: -21.747445 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -5.777 flat angles C4'-P-C4' energy: -5.776 flat angles P-C4'-P energy: -1.375 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: 1, replica: 7 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -42.743127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.743127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.743127 (E_RNA) where: Base-Base interactions energy: -20.120 where: short stacking energy: -11.364 Base-Backbone interact. energy: -0.000 local terms energy: -22.623212 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -3.798 flat angles P-C4'-P energy: -3.116 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: 2, replica: 9 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -42.116887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.116887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.116887 (E_RNA) where: Base-Base interactions energy: -18.758 where: short stacking energy: -9.192 Base-Backbone interact. energy: -0.252 local terms energy: -23.106644 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -6.129 flat angles P-C4'-P energy: -3.058 tors. eta vs tors. theta energy: -2.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -40.084466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.084466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.084466 (E_RNA) where: Base-Base interactions energy: -14.991 where: short stacking energy: -14.991 Base-Backbone interact. energy: -0.006 local terms energy: -25.087301 where: bonds (distance) C4'-P energy: -5.207 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.572 flat angles P-C4'-P energy: -4.404 tors. eta vs tors. theta energy: -3.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -41.254911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.254911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.254911 (E_RNA) where: Base-Base interactions energy: -18.622 where: short stacking energy: -18.622 Base-Backbone interact. energy: -0.003 local terms energy: -22.630589 where: bonds (distance) C4'-P energy: -4.863 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -2.964 flat angles P-C4'-P energy: -4.864 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: 5, replica: 2 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -41.389366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.389366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.389366 (E_RNA) where: Base-Base interactions energy: -14.121 where: short stacking energy: -14.121 Base-Backbone interact. energy: -0.000 local terms energy: -27.268232 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -6.158 flat angles P-C4'-P energy: -4.172 tors. eta vs tors. theta energy: -4.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -39.742832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.742832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.742832 (E_RNA) where: Base-Base interactions energy: -16.354 where: short stacking energy: -16.354 Base-Backbone interact. energy: -0.004 local terms energy: -23.384658 where: bonds (distance) C4'-P energy: -4.735 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.008 flat angles P-C4'-P energy: -1.544 tors. eta vs tors. theta energy: -4.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -46.844363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.844363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.844363 (E_RNA) where: Base-Base interactions energy: -21.543 where: short stacking energy: -21.013 Base-Backbone interact. energy: -0.001 local terms energy: -25.300655 where: bonds (distance) C4'-P energy: -4.797 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -4.950 flat angles P-C4'-P energy: -4.933 tors. eta vs tors. theta energy: -4.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -34.161354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.161354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.161354 (E_RNA) where: Base-Base interactions energy: -11.385 where: short stacking energy: -11.385 Base-Backbone interact. energy: 0.142 local terms energy: -22.919100 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -3.808 flat angles C4'-P-C4' energy: -5.976 flat angles P-C4'-P energy: -4.704 tors. eta vs tors. theta energy: -2.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -35.909647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.909647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.909647 (E_RNA) where: Base-Base interactions energy: -14.629 where: short stacking energy: -12.756 Base-Backbone interact. energy: -0.169 local terms energy: -21.111447 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -4.802 flat angles P-C4'-P energy: -4.575 tors. eta vs tors. theta energy: -0.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -35.348529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.348529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.348529 (E_RNA) where: Base-Base interactions energy: -13.823 where: short stacking energy: -13.823 Base-Backbone interact. energy: -0.064 local terms energy: -21.462210 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -6.018 flat angles P-C4'-P energy: -3.920 tors. eta vs tors. theta energy: 0.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -48.219201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.219201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.219201 (E_RNA) where: Base-Base interactions energy: -23.205 where: short stacking energy: -23.205 Base-Backbone interact. energy: -0.000 local terms energy: -25.013756 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -4.402 flat angles C4'-P-C4' energy: -5.288 flat angles P-C4'-P energy: -3.957 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: 2, replica: 6 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -47.112321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.112321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.112321 (E_RNA) where: Base-Base interactions energy: -26.107 where: short stacking energy: -10.640 Base-Backbone interact. energy: -0.001 local terms energy: -21.004748 where: bonds (distance) C4'-P energy: -5.117 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -3.924 flat angles P-C4'-P energy: -4.104 tors. eta vs tors. theta energy: -0.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -48.260837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.260837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.260837 (E_RNA) where: Base-Base interactions energy: -21.742 where: short stacking energy: -21.742 Base-Backbone interact. energy: -0.000 local terms energy: -26.518887 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -4.212 flat angles C4'-P-C4' energy: -6.674 flat angles P-C4'-P energy: -4.848 tors. eta vs tors. theta energy: -5.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -39.232350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.232350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.232350 (E_RNA) where: Base-Base interactions energy: -17.661 where: short stacking energy: -17.661 Base-Backbone interact. energy: -0.002 local terms energy: -21.569506 where: bonds (distance) C4'-P energy: -4.532 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -3.019 flat angles P-C4'-P energy: -4.856 tors. eta vs tors. theta energy: -3.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -41.789257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.789257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.789257 (E_RNA) where: Base-Base interactions energy: -23.677 where: short stacking energy: -8.168 Base-Backbone interact. energy: -0.002 local terms energy: -18.110722 where: bonds (distance) C4'-P energy: -6.362 bonds (distance) P-C4' energy: -4.293 flat angles C4'-P-C4' energy: -5.724 flat angles P-C4'-P energy: 0.320 tors. eta vs tors. theta energy: -2.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -32.275654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.275654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.275654 (E_RNA) where: Base-Base interactions energy: -13.996 where: short stacking energy: -13.996 Base-Backbone interact. energy: -0.050 local terms energy: -18.229685 where: bonds (distance) C4'-P energy: -4.400 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -3.882 flat angles P-C4'-P energy: -3.419 tors. eta vs tors. theta energy: -0.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -37.636647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.636647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.636647 (E_RNA) where: Base-Base interactions energy: -17.456 where: short stacking energy: -12.494 Base-Backbone interact. energy: -0.048 local terms energy: -20.132644 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.202 flat angles C4'-P-C4' energy: -2.375 flat angles P-C4'-P energy: -4.847 tors. eta vs tors. theta energy: -1.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -29.332537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.332537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.332537 (E_RNA) where: Base-Base interactions energy: -10.899 where: short stacking energy: -10.899 Base-Backbone interact. energy: -0.159 local terms energy: -18.274756 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -4.103 flat angles C4'-P-C4' energy: -4.689 flat angles P-C4'-P energy: -3.897 tors. eta vs tors. theta energy: -0.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -32.985395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.985395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.985395 (E_RNA) where: Base-Base interactions energy: -12.278 where: short stacking energy: -12.278 Base-Backbone interact. energy: -0.000 local terms energy: -20.707721 where: bonds (distance) C4'-P energy: -3.875 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.638 flat angles P-C4'-P energy: -4.107 tors. eta vs tors. theta energy: -1.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -32.646611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.646611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.646611 (E_RNA) where: Base-Base interactions energy: -13.670 where: short stacking energy: -6.380 Base-Backbone interact. energy: -0.000 local terms energy: -18.976059 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -5.818 flat angles P-C4'-P energy: -1.840 tors. eta vs tors. theta energy: -0.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -50.787727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.787727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.787727 (E_RNA) where: Base-Base interactions energy: -24.495 where: short stacking energy: -24.495 Base-Backbone interact. energy: -0.000 local terms energy: -26.292519 where: bonds (distance) C4'-P energy: -3.477 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.520 flat angles P-C4'-P energy: -4.639 tors. eta vs tors. theta energy: -5.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -47.460327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.460327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.460327 (E_RNA) where: Base-Base interactions energy: -21.777 where: short stacking energy: -21.777 Base-Backbone interact. energy: -0.000 local terms energy: -25.683741 where: bonds (distance) C4'-P energy: -4.399 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.110 flat angles P-C4'-P energy: -4.476 tors. eta vs tors. theta energy: -4.249 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: 3, replica: 5 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -44.454179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.454179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.454179 (E_RNA) where: Base-Base interactions energy: -21.533 where: short stacking energy: -21.733 Base-Backbone interact. energy: 0.153 local terms energy: -23.074475 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -4.557 flat angles C4'-P-C4' energy: -5.215 flat angles P-C4'-P energy: -3.443 tors. eta vs tors. theta energy: -4.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -43.121220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.121220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.121220 (E_RNA) where: Base-Base interactions energy: -18.781 where: short stacking energy: -18.781 Base-Backbone interact. energy: -0.007 local terms energy: -24.333479 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -5.956 flat angles P-C4'-P energy: -3.082 tors. eta vs tors. theta energy: -3.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -39.559712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.559712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.559712 (E_RNA) where: Base-Base interactions energy: -17.831 where: short stacking energy: -16.249 Base-Backbone interact. energy: -0.089 local terms energy: -21.639460 where: bonds (distance) C4'-P energy: -3.841 bonds (distance) P-C4' energy: -4.398 flat angles C4'-P-C4' energy: -5.308 flat angles P-C4'-P energy: -4.806 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: 6, replica: 2 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -40.830924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.830924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.830924 (E_RNA) where: Base-Base interactions energy: -16.305 where: short stacking energy: -16.305 Base-Backbone interact. energy: -0.002 local terms energy: -24.524540 where: bonds (distance) C4'-P energy: -4.959 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.835 flat angles P-C4'-P energy: -5.441 tors. eta vs tors. theta energy: -1.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -52.699504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.699504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.699504 (E_RNA) where: Base-Base interactions energy: -27.509 where: short stacking energy: -17.369 Base-Backbone interact. energy: -0.000 local terms energy: -25.190529 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -4.405 flat angles C4'-P-C4' energy: -5.961 flat angles P-C4'-P energy: -3.686 tors. eta vs tors. theta energy: -6.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -35.349716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.349716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.349716 (E_RNA) where: Base-Base interactions energy: -16.437 where: short stacking energy: -11.501 Base-Backbone interact. energy: -0.296 local terms energy: -18.616891 where: bonds (distance) C4'-P energy: -3.050 bonds (distance) P-C4' energy: -5.628 flat angles C4'-P-C4' energy: -4.904 flat angles P-C4'-P energy: -5.044 tors. eta vs tors. theta energy: 0.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -40.761833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.761833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.761833 (E_RNA) where: Base-Base interactions energy: -20.198 where: short stacking energy: -16.117 Base-Backbone interact. energy: -0.000 local terms energy: -20.564038 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -4.788 flat angles C4'-P-C4' energy: -5.189 flat angles P-C4'-P energy: 0.144 tors. eta vs tors. theta energy: -5.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -34.263990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.263990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.263990 (E_RNA) where: Base-Base interactions energy: -16.608 where: short stacking energy: -16.608 Base-Backbone interact. energy: -0.001 local terms energy: -17.655401 where: bonds (distance) C4'-P energy: -4.301 bonds (distance) P-C4' energy: -3.753 flat angles C4'-P-C4' energy: -4.734 flat angles P-C4'-P energy: -1.465 tors. eta vs tors. theta energy: -3.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -52.676246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.676246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.676246 (E_RNA) where: Base-Base interactions energy: -25.920 where: short stacking energy: -25.920 Base-Backbone interact. energy: -0.000 local terms energy: -26.756392 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -3.040 flat angles P-C4'-P energy: -4.971 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: 2, replica: 7 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -50.849754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.849754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.849754 (E_RNA) where: Base-Base interactions energy: -28.409 where: short stacking energy: -8.354 Base-Backbone interact. energy: -0.602 local terms energy: -21.838285 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -6.358 flat angles C4'-P-C4' energy: -5.701 flat angles P-C4'-P energy: -4.595 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: 3, replica: 5 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -48.832155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.832155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.832155 (E_RNA) where: Base-Base interactions energy: -20.820 where: short stacking energy: -20.820 Base-Backbone interact. energy: -0.002 local terms energy: -28.010055 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.709 flat angles P-C4'-P energy: -4.787 tors. eta vs tors. theta energy: -4.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -38.718609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.718609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.718609 (E_RNA) where: Base-Base interactions energy: -13.699 where: short stacking energy: -13.699 Base-Backbone interact. energy: -0.003 local terms energy: -25.016834 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.433 flat angles P-C4'-P energy: -3.844 tors. eta vs tors. theta energy: -2.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -38.121843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.121843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.121843 (E_RNA) where: Base-Base interactions energy: -17.046 where: short stacking energy: -17.046 Base-Backbone interact. energy: -0.104 local terms energy: -20.971571 where: bonds (distance) C4'-P energy: -2.943 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.810 flat angles P-C4'-P energy: -3.174 tors. eta vs tors. theta energy: -3.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -38.223753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.223753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.223753 (E_RNA) where: Base-Base interactions energy: -17.260 where: short stacking energy: -17.260 Base-Backbone interact. energy: -0.000 local terms energy: -20.963442 where: bonds (distance) C4'-P energy: -4.983 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -2.696 flat angles P-C4'-P energy: -2.765 tors. eta vs tors. theta energy: -3.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -39.676283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.676283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.676283 (E_RNA) where: Base-Base interactions energy: -13.844 where: short stacking energy: -11.503 Base-Backbone interact. energy: -0.520 local terms energy: -25.312254 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -5.799 flat angles P-C4'-P energy: -3.756 tors. eta vs tors. theta energy: -3.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -38.813323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.813323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.813323 (E_RNA) where: Base-Base interactions energy: -15.881 where: short stacking energy: -15.881 Base-Backbone interact. energy: -0.000 local terms energy: -22.932082 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -5.076 flat angles C4'-P-C4' energy: -5.691 flat angles P-C4'-P energy: -3.563 tors. eta vs tors. theta energy: -3.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -38.432182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.432182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.432182 (E_RNA) where: Base-Base interactions energy: -18.705 where: short stacking energy: -18.705 Base-Backbone interact. energy: -0.000 local terms energy: -19.726691 where: bonds (distance) C4'-P energy: -3.245 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.347 flat angles P-C4'-P energy: -2.432 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: 4 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -27.715027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.715027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.715027 (E_RNA) where: Base-Base interactions energy: -9.502 where: short stacking energy: -9.502 Base-Backbone interact. energy: -0.343 local terms energy: -17.870043 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -4.318 flat angles P-C4'-P energy: 0.250 tors. eta vs tors. theta energy: -1.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -43.102771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.102771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.102771 (E_RNA) where: Base-Base interactions energy: -24.169 where: short stacking energy: -20.948 Base-Backbone interact. energy: -0.002 local terms energy: -18.931924 where: bonds (distance) C4'-P energy: -5.373 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -3.881 flat angles P-C4'-P energy: 0.441 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: 2, replica: 6 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -55.546091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.546091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.546091 (E_RNA) where: Base-Base interactions energy: -30.708 where: short stacking energy: -17.806 Base-Backbone interact. energy: -0.029 local terms energy: -24.809538 where: bonds (distance) C4'-P energy: -5.509 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.248 flat angles P-C4'-P energy: -5.385 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: 3, replica: 1 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -46.821468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.821468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.821468 (E_RNA) where: Base-Base interactions energy: -22.069 where: short stacking energy: -14.825 Base-Backbone interact. energy: -0.025 local terms energy: -24.727581 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.357 flat angles C4'-P-C4' energy: -4.690 flat angles P-C4'-P energy: -3.541 tors. eta vs tors. theta energy: -4.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -42.251607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.251607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.251607 (E_RNA) where: Base-Base interactions energy: -18.592 where: short stacking energy: -18.592 Base-Backbone interact. energy: -0.003 local terms energy: -23.657446 where: bonds (distance) C4'-P energy: -5.277 bonds (distance) P-C4' energy: -5.057 flat angles C4'-P-C4' energy: -4.652 flat angles P-C4'-P energy: -5.344 tors. eta vs tors. theta energy: -3.327 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: 5, replica: 3 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -35.549049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.549049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.549049 (E_RNA) where: Base-Base interactions energy: -17.456 where: short stacking energy: -17.456 Base-Backbone interact. energy: -0.035 local terms energy: -18.057419 where: bonds (distance) C4'-P energy: -4.044 bonds (distance) P-C4' energy: -5.015 flat angles C4'-P-C4' energy: -5.656 flat angles P-C4'-P energy: -2.600 tors. eta vs tors. theta energy: -0.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -42.418310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.418310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.418310 (E_RNA) where: Base-Base interactions energy: -15.336 where: short stacking energy: -15.336 Base-Backbone interact. energy: -0.002 local terms energy: -27.080514 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.704 flat angles P-C4'-P energy: -4.928 tors. eta vs tors. theta energy: -4.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -33.216769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.216769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.216769 (E_RNA) where: Base-Base interactions energy: -14.465 where: short stacking energy: -8.877 Base-Backbone interact. energy: -0.088 local terms energy: -18.663872 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -5.576 flat angles C4'-P-C4' energy: -5.816 flat angles P-C4'-P energy: -2.183 tors. eta vs tors. theta energy: -0.697 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: 2 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -33.577278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.577278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.577278 (E_RNA) where: Base-Base interactions energy: -13.579 where: short stacking energy: -13.579 Base-Backbone interact. energy: -0.059 local terms energy: -19.938990 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -5.073 flat angles C4'-P-C4' energy: -4.294 flat angles P-C4'-P energy: -3.833 tors. eta vs tors. theta energy: -1.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -33.816823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.816823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.816823 (E_RNA) where: Base-Base interactions energy: -11.105 where: short stacking energy: -11.105 Base-Backbone interact. energy: -0.001 local terms energy: -22.711453 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -6.259 flat angles P-C4'-P energy: -3.292 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: 10, replica: 10 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -30.671365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.671365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.671365 (E_RNA) where: Base-Base interactions energy: -9.868 where: short stacking energy: -9.868 Base-Backbone interact. energy: -0.110 local terms energy: -20.693440 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -5.612 flat angles P-C4'-P energy: -4.141 tors. eta vs tors. theta energy: 0.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -40.374831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.374831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.374831 (E_RNA) where: Base-Base interactions energy: -14.759 where: short stacking energy: -14.759 Base-Backbone interact. energy: -0.001 local terms energy: -25.615225 where: bonds (distance) C4'-P energy: -6.098 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -6.135 flat angles P-C4'-P energy: -4.506 tors. eta vs tors. theta energy: -1.991 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: 1 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -46.926910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.926910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.926910 (E_RNA) where: Base-Base interactions energy: -26.377 where: short stacking energy: -14.027 Base-Backbone interact. energy: -0.368 local terms energy: -20.181720 where: bonds (distance) C4'-P energy: -3.724 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.416 flat angles P-C4'-P energy: -2.676 tors. eta vs tors. theta energy: -0.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -45.204332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.204332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.204332 (E_RNA) where: Base-Base interactions energy: -20.947 where: short stacking energy: -20.947 Base-Backbone interact. energy: -0.000 local terms energy: -24.256837 where: bonds (distance) C4'-P energy: -4.748 bonds (distance) P-C4' energy: -6.118 flat angles C4'-P-C4' energy: -5.373 flat angles P-C4'-P energy: -3.096 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: 4, replica: 3 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -41.885848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.885848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.885848 (E_RNA) where: Base-Base interactions energy: -19.297 where: short stacking energy: -19.297 Base-Backbone interact. energy: -0.046 local terms energy: -22.542676 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.860 flat angles P-C4'-P energy: -2.127 tors. eta vs tors. theta energy: -3.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -47.519842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.519842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.519842 (E_RNA) where: Base-Base interactions energy: -26.104 where: short stacking energy: -15.700 Base-Backbone interact. energy: -0.062 local terms energy: -21.353452 where: bonds (distance) C4'-P energy: -2.910 bonds (distance) P-C4' energy: -5.837 flat angles C4'-P-C4' energy: -5.904 flat angles P-C4'-P energy: -4.651 tors. eta vs tors. theta energy: -2.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -41.244790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.244790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.244790 (E_RNA) where: Base-Base interactions energy: -19.001 where: short stacking energy: -19.001 Base-Backbone interact. energy: -0.000 local terms energy: -22.243662 where: bonds (distance) C4'-P energy: -5.037 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -3.797 flat angles P-C4'-P energy: -2.576 tors. eta vs tors. theta energy: -5.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -42.157857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.157857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.157857 (E_RNA) where: Base-Base interactions energy: -16.532 where: short stacking energy: -16.532 Base-Backbone interact. energy: -0.006 local terms energy: -25.620498 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -5.577 flat angles P-C4'-P energy: -4.935 tors. eta vs tors. theta energy: -3.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -31.364256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.364256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.364256 (E_RNA) where: Base-Base interactions energy: -11.148 where: short stacking energy: -11.148 Base-Backbone interact. energy: -0.005 local terms energy: -20.211639 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.253 flat angles P-C4'-P energy: -1.779 tors. eta vs tors. theta energy: -1.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -33.355510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.355510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.355510 (E_RNA) where: Base-Base interactions energy: -15.688 where: short stacking energy: -10.053 Base-Backbone interact. energy: -0.004 local terms energy: -17.663078 where: bonds (distance) C4'-P energy: -2.925 bonds (distance) P-C4' energy: -5.110 flat angles C4'-P-C4' energy: -2.493 flat angles P-C4'-P energy: -4.973 tors. eta vs tors. theta energy: -2.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -34.590232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.590232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.590232 (E_RNA) where: Base-Base interactions energy: -15.851 where: short stacking energy: -15.851 Base-Backbone interact. energy: -0.003 local terms energy: -18.735893 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -5.576 flat angles C4'-P-C4' energy: -3.159 flat angles P-C4'-P energy: -3.439 tors. eta vs tors. theta energy: -1.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -52.529846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.529846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.529846 (E_RNA) where: Base-Base interactions energy: -24.394 where: short stacking energy: -15.912 Base-Backbone interact. energy: -0.001 local terms energy: -28.134943 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -5.957 flat angles P-C4'-P energy: -3.938 tors. eta vs tors. theta energy: -5.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -42.415181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.415181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.415181 (E_RNA) where: Base-Base interactions energy: -18.598 where: short stacking energy: -18.598 Base-Backbone interact. energy: -0.011 local terms energy: -23.806286 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.875 flat angles P-C4'-P energy: -2.470 tors. eta vs tors. theta energy: -4.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -52.556641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.556641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.556641 (E_RNA) where: Base-Base interactions energy: -24.217 where: short stacking energy: -24.217 Base-Backbone interact. energy: -0.000 local terms energy: -28.339322 where: bonds (distance) C4'-P energy: -5.025 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.440 flat angles P-C4'-P energy: -4.317 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: 4, replica: 6 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -38.656616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.656616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.656616 (E_RNA) where: Base-Base interactions energy: -17.357 where: short stacking energy: -13.134 Base-Backbone interact. energy: -0.025 local terms energy: -21.275302 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -3.729 flat angles P-C4'-P energy: -3.341 tors. eta vs tors. theta energy: -1.491 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: 5, replica: 8 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -37.574560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.574560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.574560 (E_RNA) where: Base-Base interactions energy: -19.182 where: short stacking energy: -13.713 Base-Backbone interact. energy: -0.098 local terms energy: -18.294695 where: bonds (distance) C4'-P energy: -4.764 bonds (distance) P-C4' energy: -4.539 flat angles C4'-P-C4' energy: -4.926 flat angles P-C4'-P energy: -3.007 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: 6, replica: 5 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -37.262300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.262300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.262300 (E_RNA) where: Base-Base interactions energy: -19.063 where: short stacking energy: -19.063 Base-Backbone interact. energy: -0.001 local terms energy: -18.199008 where: bonds (distance) C4'-P energy: -4.110 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -4.725 flat angles P-C4'-P energy: 0.336 tors. eta vs tors. theta energy: -3.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -38.512794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.512794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.512794 (E_RNA) where: Base-Base interactions energy: -16.901 where: short stacking energy: -16.901 Base-Backbone interact. energy: -0.000 local terms energy: -21.611502 where: bonds (distance) C4'-P energy: -4.276 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -3.804 flat angles P-C4'-P energy: -4.865 tors. eta vs tors. theta energy: -3.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -31.600763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.600763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.600763 (E_RNA) where: Base-Base interactions energy: -12.047 where: short stacking energy: -12.047 Base-Backbone interact. energy: -0.022 local terms energy: -19.532278 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.637 flat angles P-C4'-P energy: -3.050 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: 282 Temperature: 1.300000 Total energy: -34.342003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.342003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.342003 (E_RNA) where: Base-Base interactions energy: -13.623 where: short stacking energy: -10.645 Base-Backbone interact. energy: -0.052 local terms energy: -20.667325 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -5.541 flat angles C4'-P-C4' energy: -4.861 flat angles P-C4'-P energy: -2.677 tors. eta vs tors. theta energy: -2.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -34.963715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.963715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.963715 (E_RNA) where: Base-Base interactions energy: -14.351 where: short stacking energy: -14.351 Base-Backbone interact. energy: -0.000 local terms energy: -20.612161 where: bonds (distance) C4'-P energy: -3.431 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -3.523 flat angles P-C4'-P energy: -3.583 tors. eta vs tors. theta energy: -3.199 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: 1, replica: 1 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -54.361206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.361206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.361206 (E_RNA) where: Base-Base interactions energy: -25.566 where: short stacking energy: -25.566 Base-Backbone interact. energy: -0.000 local terms energy: -28.794976 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.025 flat angles P-C4'-P energy: -4.478 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: 2, replica: 3 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -50.496243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.496243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.496243 (E_RNA) where: Base-Base interactions energy: -24.798 where: short stacking energy: -24.798 Base-Backbone interact. energy: -0.000 local terms energy: -25.698041 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -6.776 flat angles P-C4'-P energy: -2.440 tors. eta vs tors. theta energy: -4.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -47.637242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.637242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.637242 (E_RNA) where: Base-Base interactions energy: -21.370 where: short stacking energy: -21.370 Base-Backbone interact. energy: -0.000 local terms energy: -26.267517 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.539 flat angles P-C4'-P energy: -4.298 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: 4, replica: 8 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -45.025598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.025598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.025598 (E_RNA) where: Base-Base interactions energy: -17.828 where: short stacking energy: -16.920 Base-Backbone interact. energy: -0.000 local terms energy: -27.197137 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.750 flat angles P-C4'-P energy: -3.720 tors. eta vs tors. theta energy: -4.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -46.823075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.823075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.823075 (E_RNA) where: Base-Base interactions energy: -21.452 where: short stacking energy: -21.452 Base-Backbone interact. energy: -0.001 local terms energy: -25.369757 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -5.412 flat angles P-C4'-P energy: -3.512 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: 6, replica: 4 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -36.096529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.096529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.096529 (E_RNA) where: Base-Base interactions energy: -14.199 where: short stacking energy: -14.199 Base-Backbone interact. energy: -0.015 local terms energy: -21.882804 where: bonds (distance) C4'-P energy: -5.244 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.990 flat angles P-C4'-P energy: -2.027 tors. eta vs tors. theta energy: -3.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -35.966518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.966518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.966518 (E_RNA) where: Base-Base interactions energy: -12.611 where: short stacking energy: -12.611 Base-Backbone interact. energy: -0.000 local terms energy: -23.355021 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -3.353 flat angles P-C4'-P energy: -3.970 tors. eta vs tors. theta energy: -3.562 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: 10 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -33.557838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.557838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.557838 (E_RNA) where: Base-Base interactions energy: -12.620 where: short stacking energy: -12.620 Base-Backbone interact. energy: -0.004 local terms energy: -20.933468 where: bonds (distance) C4'-P energy: -5.724 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -3.401 flat angles P-C4'-P energy: -2.319 tors. eta vs tors. theta energy: -2.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -34.443555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.443555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.443555 (E_RNA) where: Base-Base interactions energy: -14.139 where: short stacking energy: -14.139 Base-Backbone interact. energy: -0.000 local terms energy: -20.305003 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -2.478 flat angles P-C4'-P energy: -0.977 tors. eta vs tors. theta energy: -5.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -30.416874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.416874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.416874 (E_RNA) where: Base-Base interactions energy: -9.299 where: short stacking energy: -9.299 Base-Backbone interact. energy: -0.054 local terms energy: -21.063522 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.094 flat angles P-C4'-P energy: -4.345 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: 1, replica: 1 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -49.312738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.312738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.312738 (E_RNA) where: Base-Base interactions energy: -23.262 where: short stacking energy: -23.262 Base-Backbone interact. energy: -0.002 local terms energy: -26.048205 where: bonds (distance) C4'-P energy: -5.543 bonds (distance) P-C4' energy: -5.135 flat angles C4'-P-C4' energy: -6.501 flat angles P-C4'-P energy: -4.149 tors. eta vs tors. theta energy: -4.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -44.171469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.171469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.171469 (E_RNA) where: Base-Base interactions energy: -18.311 where: short stacking energy: -18.311 Base-Backbone interact. energy: -0.001 local terms energy: -25.859949 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.149 flat angles C4'-P-C4' energy: -5.137 flat angles P-C4'-P energy: -3.809 tors. eta vs tors. theta energy: -5.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -44.367626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.367626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.367626 (E_RNA) where: Base-Base interactions energy: -18.896 where: short stacking energy: -18.896 Base-Backbone interact. energy: -0.000 local terms energy: -25.471756 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.124 flat angles C4'-P-C4' energy: -5.500 flat angles P-C4'-P energy: -3.547 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: 4, replica: 7 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -42.183793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.183793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.183793 (E_RNA) where: Base-Base interactions energy: -19.418 where: short stacking energy: -19.418 Base-Backbone interact. energy: -0.100 local terms energy: -22.665619 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -3.102 flat angles P-C4'-P energy: -4.713 tors. eta vs tors. theta energy: -2.194 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: 5, replica: 4 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -37.435374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.435374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.435374 (E_RNA) where: Base-Base interactions energy: -17.963 where: short stacking energy: -16.062 Base-Backbone interact. energy: 0.381 local terms energy: -19.852925 where: bonds (distance) C4'-P energy: -2.997 bonds (distance) P-C4' energy: -5.417 flat angles C4'-P-C4' energy: -4.617 flat angles P-C4'-P energy: -3.763 tors. eta vs tors. theta energy: -3.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -38.055394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.055394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.055394 (E_RNA) where: Base-Base interactions energy: -16.518 where: short stacking energy: -16.518 Base-Backbone interact. energy: -0.001 local terms energy: -21.536505 where: bonds (distance) C4'-P energy: -4.979 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -5.657 flat angles P-C4'-P energy: -2.973 tors. eta vs tors. theta energy: -2.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -38.770578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.770578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.770578 (E_RNA) where: Base-Base interactions energy: -13.865 where: short stacking energy: -12.982 Base-Backbone interact. energy: -0.011 local terms energy: -24.893846 where: bonds (distance) C4'-P energy: -4.284 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.358 flat angles P-C4'-P energy: -4.262 tors. eta vs tors. theta energy: -4.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -39.188799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.188799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.188799 (E_RNA) where: Base-Base interactions energy: -18.258 where: short stacking energy: -12.670 Base-Backbone interact. energy: -0.000 local terms energy: -20.930894 where: bonds (distance) C4'-P energy: -4.264 bonds (distance) P-C4' energy: -4.484 flat angles C4'-P-C4' energy: -5.306 flat angles P-C4'-P energy: -2.582 tors. eta vs tors. theta energy: -4.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -34.126316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.126316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.126316 (E_RNA) where: Base-Base interactions energy: -17.617 where: short stacking energy: -12.169 Base-Backbone interact. energy: 0.567 local terms energy: -17.076950 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -2.829 flat angles P-C4'-P energy: -2.499 tors. eta vs tors. theta energy: 0.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -33.761955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.761955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.761955 (E_RNA) where: Base-Base interactions energy: -12.037 where: short stacking energy: -12.037 Base-Backbone interact. energy: -0.044 local terms energy: -21.680701 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.221 flat angles P-C4'-P energy: -3.383 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: 1, replica: 1 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -47.589356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.589356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.589356 (E_RNA) where: Base-Base interactions energy: -22.661 where: short stacking energy: -22.661 Base-Backbone interact. energy: -0.000 local terms energy: -24.928461 where: bonds (distance) C4'-P energy: -4.425 bonds (distance) P-C4' energy: -5.110 flat angles C4'-P-C4' energy: -5.422 flat angles P-C4'-P energy: -3.756 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: 2, replica: 8 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -45.027326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.027326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.027326 (E_RNA) where: Base-Base interactions energy: -19.378 where: short stacking energy: -19.378 Base-Backbone interact. energy: -0.000 local terms energy: -25.649597 where: bonds (distance) C4'-P energy: -4.206 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.862 flat angles P-C4'-P energy: -3.411 tors. eta vs tors. theta energy: -6.190 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: 3 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -48.493607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.493607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.493607 (E_RNA) where: Base-Base interactions energy: -24.005 where: short stacking energy: -24.005 Base-Backbone interact. energy: -0.000 local terms energy: -24.488517 where: bonds (distance) C4'-P energy: -3.593 bonds (distance) P-C4' energy: -5.868 flat angles C4'-P-C4' energy: -3.734 flat angles P-C4'-P energy: -4.035 tors. eta vs tors. theta energy: -7.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -42.624601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.624601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.624601 (E_RNA) where: Base-Base interactions energy: -18.572 where: short stacking energy: -18.572 Base-Backbone interact. energy: -0.095 local terms energy: -23.956834 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.992 flat angles P-C4'-P energy: -5.206 tors. eta vs tors. theta energy: -0.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -34.749098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.749098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.749098 (E_RNA) where: Base-Base interactions energy: -12.031 where: short stacking energy: -12.031 Base-Backbone interact. energy: -0.002 local terms energy: -22.716090 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -5.304 flat angles C4'-P-C4' energy: -4.230 flat angles P-C4'-P energy: -3.239 tors. eta vs tors. theta energy: -3.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -40.803125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.803125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.803125 (E_RNA) where: Base-Base interactions energy: -13.360 where: short stacking energy: -13.360 Base-Backbone interact. energy: -0.000 local terms energy: -27.443078 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -6.487 flat angles P-C4'-P energy: -4.048 tors. eta vs tors. theta energy: -5.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -42.520913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.520913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.520913 (E_RNA) where: Base-Base interactions energy: -16.465 where: short stacking energy: -16.465 Base-Backbone interact. energy: -0.009 local terms energy: -26.047303 where: bonds (distance) C4'-P energy: -4.856 bonds (distance) P-C4' energy: -5.181 flat angles C4'-P-C4' energy: -5.485 flat angles P-C4'-P energy: -4.473 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: 8, replica: 2 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -35.575891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.575891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.575891 (E_RNA) where: Base-Base interactions energy: -19.561 where: short stacking energy: -14.537 Base-Backbone interact. energy: -0.062 local terms energy: -15.953550 where: bonds (distance) C4'-P energy: -4.587 bonds (distance) P-C4' energy: -4.963 flat angles C4'-P-C4' energy: -2.835 flat angles P-C4'-P energy: -1.904 tors. eta vs tors. theta energy: -1.664 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: 5 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -35.022050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.022050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.022050 (E_RNA) where: Base-Base interactions energy: -14.370 where: short stacking energy: -14.273 Base-Backbone interact. energy: -0.032 local terms energy: -20.620228 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -4.625 flat angles C4'-P-C4' energy: -5.769 flat angles P-C4'-P energy: -4.163 tors. eta vs tors. theta energy: -0.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -32.257150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.257150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.257150 (E_RNA) where: Base-Base interactions energy: -15.653 where: short stacking energy: -15.653 Base-Backbone interact. energy: -0.061 local terms energy: -16.543851 where: bonds (distance) C4'-P energy: -5.100 bonds (distance) P-C4' energy: -3.237 flat angles C4'-P-C4' energy: -4.727 flat angles P-C4'-P energy: -2.556 tors. eta vs tors. theta energy: -0.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -48.882016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.882016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.882016 (E_RNA) where: Base-Base interactions energy: -25.931 where: short stacking energy: -14.835 Base-Backbone interact. energy: -0.065 local terms energy: -22.886145 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -6.221 flat angles P-C4'-P energy: -4.085 tors. eta vs tors. theta energy: -2.407 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: 1 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -39.994526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.994526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.994526 (E_RNA) where: Base-Base interactions energy: -18.702 where: short stacking energy: -11.571 Base-Backbone interact. energy: -0.094 local terms energy: -21.198284 where: bonds (distance) C4'-P energy: -4.337 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -3.321 flat angles P-C4'-P energy: -5.240 tors. eta vs tors. theta energy: -2.104 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: 286 Temperature: 1.000000 Total energy: -43.808820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.808820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.808820 (E_RNA) where: Base-Base interactions energy: -17.335 where: short stacking energy: -17.335 Base-Backbone interact. energy: -0.000 local terms energy: -26.473268 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -4.825 flat angles C4'-P-C4' energy: -6.062 flat angles P-C4'-P energy: -4.253 tors. eta vs tors. theta energy: -5.102 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: 4, replica: 3 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -40.150578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.150578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.150578 (E_RNA) where: Base-Base interactions energy: -16.976 where: short stacking energy: -8.828 Base-Backbone interact. energy: -0.022 local terms energy: -23.153004 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -5.234 flat angles P-C4'-P energy: -4.377 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: 5, replica: 6 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -43.262703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.262703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.262703 (E_RNA) where: Base-Base interactions energy: -17.919 where: short stacking energy: -17.919 Base-Backbone interact. energy: -0.050 local terms energy: -25.293717 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.718 flat angles P-C4'-P energy: -3.990 tors. eta vs tors. theta energy: -3.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -39.087503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.087503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.087503 (E_RNA) where: Base-Base interactions energy: -22.072 where: short stacking energy: -13.415 Base-Backbone interact. energy: 0.493 local terms energy: -17.508573 where: bonds (distance) C4'-P energy: -4.044 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -4.304 flat angles P-C4'-P energy: -3.010 tors. eta vs tors. theta energy: -0.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -38.384148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.384148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.384148 (E_RNA) where: Base-Base interactions energy: -21.865 where: short stacking energy: -12.908 Base-Backbone interact. energy: -0.007 local terms energy: -16.511750 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -1.390 flat angles P-C4'-P energy: -1.738 tors. eta vs tors. theta energy: -1.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -37.905751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.905751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.905751 (E_RNA) where: Base-Base interactions energy: -15.985 where: short stacking energy: -13.878 Base-Backbone interact. energy: -0.285 local terms energy: -21.635772 where: bonds (distance) C4'-P energy: -3.142 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.268 flat angles P-C4'-P energy: -3.504 tors. eta vs tors. theta energy: -2.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -33.771155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.771155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.771155 (E_RNA) where: Base-Base interactions energy: -10.283 where: short stacking energy: -10.283 Base-Backbone interact. energy: -0.000 local terms energy: -23.488088 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -5.435 flat angles C4'-P-C4' energy: -5.833 flat angles P-C4'-P energy: -4.784 tors. eta vs tors. theta energy: -2.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -37.626407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.626407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.626407 (E_RNA) where: Base-Base interactions energy: -14.106 where: short stacking energy: -14.106 Base-Backbone interact. energy: -0.031 local terms energy: -23.489066 where: bonds (distance) C4'-P energy: -4.276 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.957 flat angles P-C4'-P energy: -3.086 tors. eta vs tors. theta energy: -3.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -46.870225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.870225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.870225 (E_RNA) where: Base-Base interactions energy: -18.780 where: short stacking energy: -18.780 Base-Backbone interact. energy: -0.000 local terms energy: -28.089536 where: bonds (distance) C4'-P energy: -5.510 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.627 flat angles P-C4'-P energy: -4.123 tors. eta vs tors. theta energy: -4.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -44.057175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.057175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.057175 (E_RNA) where: Base-Base interactions energy: -19.020 where: short stacking energy: -19.020 Base-Backbone interact. energy: -0.011 local terms energy: -25.026331 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -4.180 flat angles C4'-P-C4' energy: -5.701 flat angles P-C4'-P energy: -5.319 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: 3, replica: 1 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -44.678017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.678017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.678017 (E_RNA) where: Base-Base interactions energy: -22.397 where: short stacking energy: -17.190 Base-Backbone interact. energy: -0.057 local terms energy: -22.223917 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -5.256 flat angles P-C4'-P energy: -3.347 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: 4, replica: 6 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -45.753845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.753845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.753845 (E_RNA) where: Base-Base interactions energy: -20.796 where: short stacking energy: -20.796 Base-Backbone interact. energy: -0.000 local terms energy: -24.958107 where: bonds (distance) C4'-P energy: -4.980 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -3.106 flat angles P-C4'-P energy: -5.141 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: 5, replica: 3 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -45.814446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.814446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.814446 (E_RNA) where: Base-Base interactions energy: -18.365 where: short stacking energy: -18.365 Base-Backbone interact. energy: -0.000 local terms energy: -27.449158 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -6.661 flat angles P-C4'-P energy: -2.773 tors. eta vs tors. theta energy: -7.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -41.440873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.440873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.440873 (E_RNA) where: Base-Base interactions energy: -19.495 where: short stacking energy: -19.077 Base-Backbone interact. energy: -0.000 local terms energy: -21.945404 where: bonds (distance) C4'-P energy: -3.874 bonds (distance) P-C4' energy: -4.631 flat angles C4'-P-C4' energy: -5.467 flat angles P-C4'-P energy: -2.795 tors. eta vs tors. theta energy: -5.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -35.438775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.438775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.438775 (E_RNA) where: Base-Base interactions energy: -13.458 where: short stacking energy: -13.458 Base-Backbone interact. energy: -0.000 local terms energy: -21.980845 where: bonds (distance) C4'-P energy: -4.753 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.580 flat angles P-C4'-P energy: -3.307 tors. eta vs tors. theta energy: -2.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -33.266958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.266958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.266958 (E_RNA) where: Base-Base interactions energy: -15.961 where: short stacking energy: -11.646 Base-Backbone interact. energy: -0.000 local terms energy: -17.305302 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -4.557 flat angles C4'-P-C4' energy: -4.398 flat angles P-C4'-P energy: -1.749 tors. eta vs tors. theta energy: -0.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -30.524384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.524384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.524384 (E_RNA) where: Base-Base interactions energy: -9.616 where: short stacking energy: -9.616 Base-Backbone interact. energy: -0.000 local terms energy: -20.908643 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.461 flat angles P-C4'-P energy: -2.705 tors. eta vs tors. theta energy: 0.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -38.366532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.366532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.366532 (E_RNA) where: Base-Base interactions energy: -15.585 where: short stacking energy: -15.585 Base-Backbone interact. energy: -0.087 local terms energy: -22.694549 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -4.847 flat angles C4'-P-C4' energy: -5.407 flat angles P-C4'-P energy: -3.110 tors. eta vs tors. theta energy: -3.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -51.645639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.645639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.645639 (E_RNA) where: Base-Base interactions energy: -25.951 where: short stacking energy: -15.896 Base-Backbone interact. energy: -0.000 local terms energy: -25.694961 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.625 flat angles P-C4'-P energy: -3.568 tors. eta vs tors. theta energy: -3.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -42.795347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.795347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.795347 (E_RNA) where: Base-Base interactions energy: -17.427 where: short stacking energy: -17.427 Base-Backbone interact. energy: -0.008 local terms energy: -25.360189 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -4.942 flat angles P-C4'-P energy: -4.103 tors. eta vs tors. theta energy: -4.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -41.977883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.977883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.977883 (E_RNA) where: Base-Base interactions energy: -20.712 where: short stacking energy: -20.712 Base-Backbone interact. energy: -0.000 local terms energy: -21.265714 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -4.677 flat angles C4'-P-C4' energy: -4.979 flat angles P-C4'-P energy: -1.039 tors. eta vs tors. theta energy: -4.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -39.686154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.686154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.686154 (E_RNA) where: Base-Base interactions energy: -13.696 where: short stacking energy: -13.696 Base-Backbone interact. energy: -0.003 local terms energy: -25.987153 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -6.077 flat angles P-C4'-P energy: -5.017 tors. eta vs tors. theta energy: -3.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -42.178980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.178980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.178980 (E_RNA) where: Base-Base interactions energy: -20.402 where: short stacking energy: -20.402 Base-Backbone interact. energy: -0.006 local terms energy: -21.771104 where: bonds (distance) C4'-P energy: -4.745 bonds (distance) P-C4' energy: -5.491 flat angles C4'-P-C4' energy: -5.707 flat angles P-C4'-P energy: -2.895 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: 6, replica: 3 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -39.962541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.962541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.962541 (E_RNA) where: Base-Base interactions energy: -17.793 where: short stacking energy: -17.793 Base-Backbone interact. energy: -0.005 local terms energy: -22.165050 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.315 flat angles P-C4'-P energy: -4.584 tors. eta vs tors. theta energy: -1.403 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: 7, replica: 10 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -32.224902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.224902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.224902 (E_RNA) where: Base-Base interactions energy: -11.122 where: short stacking energy: -11.122 Base-Backbone interact. energy: -0.014 local terms energy: -21.088990 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -4.380 flat angles P-C4'-P energy: -2.754 tors. eta vs tors. theta energy: -1.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -40.924240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.924240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.924240 (E_RNA) where: Base-Base interactions energy: -19.303 where: short stacking energy: -19.303 Base-Backbone interact. energy: -0.023 local terms energy: -21.598590 where: bonds (distance) C4'-P energy: -4.239 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -6.484 flat angles P-C4'-P energy: -2.524 tors. eta vs tors. theta energy: -2.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -33.428758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.428758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.428758 (E_RNA) where: Base-Base interactions energy: -11.575 where: short stacking energy: -11.575 Base-Backbone interact. energy: -0.000 local terms energy: -21.853553 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -3.936 flat angles C4'-P-C4' energy: -6.312 flat angles P-C4'-P energy: -4.203 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: 10, replica: 9 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -33.374215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.374215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.374215 (E_RNA) where: Base-Base interactions energy: -13.438 where: short stacking energy: -13.438 Base-Backbone interact. energy: -0.145 local terms energy: -19.791043 where: bonds (distance) C4'-P energy: -2.685 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -5.603 flat angles P-C4'-P energy: -3.440 tors. eta vs tors. theta energy: -2.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -54.829951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.829951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.829951 (E_RNA) where: Base-Base interactions energy: -27.806 where: short stacking energy: -15.963 Base-Backbone interact. energy: -0.000 local terms energy: -27.023307 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.715 flat angles P-C4'-P energy: -4.120 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: 2, replica: 8 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -47.858078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.858078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.858078 (E_RNA) where: Base-Base interactions energy: -21.257 where: short stacking energy: -21.257 Base-Backbone interact. energy: -0.000 local terms energy: -26.601384 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.081 flat angles P-C4'-P energy: -4.869 tors. eta vs tors. theta energy: -5.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -50.084812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.084812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.084812 (E_RNA) where: Base-Base interactions energy: -22.527 where: short stacking energy: -22.527 Base-Backbone interact. energy: -0.000 local terms energy: -27.558058 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -5.213 flat angles P-C4'-P energy: -5.486 tors. eta vs tors. theta energy: -4.985 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: 1 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -36.488755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.488755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.488755 (E_RNA) where: Base-Base interactions energy: -16.232 where: short stacking energy: -16.232 Base-Backbone interact. energy: -0.270 local terms energy: -19.986321 where: bonds (distance) C4'-P energy: -4.864 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.361 flat angles P-C4'-P energy: -1.669 tors. eta vs tors. theta energy: -1.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -42.303216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.303216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.303216 (E_RNA) where: Base-Base interactions energy: -18.472 where: short stacking energy: -18.472 Base-Backbone interact. energy: -0.128 local terms energy: -23.703405 where: bonds (distance) C4'-P energy: -5.435 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -5.028 flat angles P-C4'-P energy: -4.676 tors. eta vs tors. theta energy: -2.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -40.251641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.251641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.251641 (E_RNA) where: Base-Base interactions energy: -14.917 where: short stacking energy: -14.917 Base-Backbone interact. energy: -0.000 local terms energy: -25.334907 where: bonds (distance) C4'-P energy: -4.872 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.278 flat angles P-C4'-P energy: -1.936 tors. eta vs tors. theta energy: -5.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -35.230615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.230615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.230615 (E_RNA) where: Base-Base interactions energy: -12.728 where: short stacking energy: -12.728 Base-Backbone interact. energy: -0.000 local terms energy: -22.502318 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -4.367 flat angles C4'-P-C4' energy: -5.190 flat angles P-C4'-P energy: -3.319 tors. eta vs tors. theta energy: -3.628 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: 5 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -36.963556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.963556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.963556 (E_RNA) where: Base-Base interactions energy: -15.869 where: short stacking energy: -15.869 Base-Backbone interact. energy: -0.001 local terms energy: -21.093616 where: bonds (distance) C4'-P energy: -3.199 bonds (distance) P-C4' energy: -5.279 flat angles C4'-P-C4' energy: -6.060 flat angles P-C4'-P energy: -3.639 tors. eta vs tors. theta energy: -2.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -39.628768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.628768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.628768 (E_RNA) where: Base-Base interactions energy: -15.844 where: short stacking energy: -9.377 Base-Backbone interact. energy: -0.000 local terms energy: -23.784779 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -6.081 flat angles P-C4'-P energy: -1.720 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: 10, replica: 9 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -31.416445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.416445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.416445 (E_RNA) where: Base-Base interactions energy: -12.231 where: short stacking energy: -10.984 Base-Backbone interact. energy: -0.006 local terms energy: -19.180175 where: bonds (distance) C4'-P energy: -3.954 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -4.943 flat angles P-C4'-P energy: -1.126 tors. eta vs tors. theta energy: -2.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -51.608408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.608408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.608408 (E_RNA) where: Base-Base interactions energy: -24.254 where: short stacking energy: -24.254 Base-Backbone interact. energy: -0.000 local terms energy: -27.354466 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.985 flat angles P-C4'-P energy: -3.771 tors. eta vs tors. theta energy: -5.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -46.811241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.811241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.811241 (E_RNA) where: Base-Base interactions energy: -23.140 where: short stacking energy: -23.140 Base-Backbone interact. energy: -0.013 local terms energy: -23.658482 where: bonds (distance) C4'-P energy: -4.703 bonds (distance) P-C4' energy: -5.867 flat angles C4'-P-C4' energy: -5.672 flat angles P-C4'-P energy: -3.603 tors. eta vs tors. theta energy: -3.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -44.546071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.546071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.546071 (E_RNA) where: Base-Base interactions energy: -18.844 where: short stacking energy: -18.844 Base-Backbone interact. energy: -0.000 local terms energy: -25.701805 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.421 flat angles P-C4'-P energy: -3.284 tors. eta vs tors. theta energy: -4.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -41.826121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.826121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.826121 (E_RNA) where: Base-Base interactions energy: -14.305 where: short stacking energy: -14.305 Base-Backbone interact. energy: -0.000 local terms energy: -27.520785 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -5.945 flat angles P-C4'-P energy: -5.305 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: 5, replica: 2 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -40.061689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.061689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.061689 (E_RNA) where: Base-Base interactions energy: -17.908 where: short stacking energy: -17.908 Base-Backbone interact. energy: -0.000 local terms energy: -22.153950 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -4.973 flat angles C4'-P-C4' energy: -5.139 flat angles P-C4'-P energy: -1.837 tors. eta vs tors. theta energy: -4.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -36.488561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.488561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.488561 (E_RNA) where: Base-Base interactions energy: -13.655 where: short stacking energy: -13.655 Base-Backbone interact. energy: -0.087 local terms energy: -22.745939 where: bonds (distance) C4'-P energy: -4.221 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -4.722 flat angles P-C4'-P energy: -3.916 tors. eta vs tors. theta energy: -2.744 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: 5 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -35.165969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.165969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.165969 (E_RNA) where: Base-Base interactions energy: -16.987 where: short stacking energy: -16.987 Base-Backbone interact. energy: -0.000 local terms energy: -18.178470 where: bonds (distance) C4'-P energy: -3.344 bonds (distance) P-C4' energy: -3.100 flat angles C4'-P-C4' energy: -6.271 flat angles P-C4'-P energy: -2.023 tors. eta vs tors. theta energy: -3.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -39.302622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.302622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.302622 (E_RNA) where: Base-Base interactions energy: -14.930 where: short stacking energy: -14.930 Base-Backbone interact. energy: -0.008 local terms energy: -24.364477 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -5.826 flat angles C4'-P-C4' energy: -4.521 flat angles P-C4'-P energy: -4.591 tors. eta vs tors. theta energy: -4.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -35.102686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.102686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.102686 (E_RNA) where: Base-Base interactions energy: -12.899 where: short stacking energy: -12.187 Base-Backbone interact. energy: -0.811 local terms energy: -21.392497 where: bonds (distance) C4'-P energy: -4.256 bonds (distance) P-C4' energy: -3.741 flat angles C4'-P-C4' energy: -5.955 flat angles P-C4'-P energy: -4.452 tors. eta vs tors. theta energy: -2.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -37.860702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.860702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.860702 (E_RNA) where: Base-Base interactions energy: -16.129 where: short stacking energy: -16.129 Base-Backbone interact. energy: -0.000 local terms energy: -21.731913 where: bonds (distance) C4'-P energy: -5.481 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -3.700 flat angles P-C4'-P energy: -2.248 tors. eta vs tors. theta energy: -4.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -57.805777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.805777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.805777 (E_RNA) where: Base-Base interactions energy: -32.454 where: short stacking energy: -20.172 Base-Backbone interact. energy: -0.000 local terms energy: -25.352083 where: bonds (distance) C4'-P energy: -4.442 bonds (distance) P-C4' energy: -5.604 flat angles C4'-P-C4' energy: -6.499 flat angles P-C4'-P energy: -0.876 tors. eta vs tors. theta energy: -7.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -55.313181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.313181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.313181 (E_RNA) where: Base-Base interactions energy: -31.919 where: short stacking energy: -15.273 Base-Backbone interact. energy: -0.001 local terms energy: -23.393186 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.618 flat angles P-C4'-P energy: -3.526 tors. eta vs tors. theta energy: -2.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -45.899794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.899794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.899794 (E_RNA) where: Base-Base interactions energy: -20.855 where: short stacking energy: -20.855 Base-Backbone interact. energy: -0.040 local terms energy: -25.004834 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -6.348 flat angles P-C4'-P energy: -2.068 tors. eta vs tors. theta energy: -5.498 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: 2 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -49.195455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.195455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.195455 (E_RNA) where: Base-Base interactions energy: -20.956 where: short stacking energy: -20.956 Base-Backbone interact. energy: -0.002 local terms energy: -28.238098 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.730 flat angles P-C4'-P energy: -4.944 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: 5, replica: 6 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -35.828352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.828352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.828352 (E_RNA) where: Base-Base interactions energy: -14.027 where: short stacking energy: -12.358 Base-Backbone interact. energy: -0.026 local terms energy: -21.775258 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -4.975 flat angles P-C4'-P energy: -2.357 tors. eta vs tors. theta energy: -2.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -36.671560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.671560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.671560 (E_RNA) where: Base-Base interactions energy: -14.558 where: short stacking energy: -14.558 Base-Backbone interact. energy: -0.008 local terms energy: -22.105037 where: bonds (distance) C4'-P energy: -6.106 bonds (distance) P-C4' energy: -6.107 flat angles C4'-P-C4' energy: -3.530 flat angles P-C4'-P energy: -4.020 tors. eta vs tors. theta energy: -2.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -40.732211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.732211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.732211 (E_RNA) where: Base-Base interactions energy: -17.129 where: short stacking energy: -17.129 Base-Backbone interact. energy: -0.009 local terms energy: -23.593309 where: bonds (distance) C4'-P energy: -3.920 bonds (distance) P-C4' energy: -5.189 flat angles C4'-P-C4' energy: -5.431 flat angles P-C4'-P energy: -4.338 tors. eta vs tors. theta energy: -4.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -40.348953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.348953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.348953 (E_RNA) where: Base-Base interactions energy: -17.907 where: short stacking energy: -17.907 Base-Backbone interact. energy: -0.000 local terms energy: -22.441803 where: bonds (distance) C4'-P energy: -4.508 bonds (distance) P-C4' energy: -5.864 flat angles C4'-P-C4' energy: -4.929 flat angles P-C4'-P energy: -2.098 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: 9, replica: 9 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -36.340636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.340636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.340636 (E_RNA) where: Base-Base interactions energy: -11.695 where: short stacking energy: -11.695 Base-Backbone interact. energy: -0.000 local terms energy: -24.645890 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.044 flat angles P-C4'-P energy: -4.436 tors. eta vs tors. theta energy: -3.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -30.814899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.814899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.814899 (E_RNA) where: Base-Base interactions energy: -10.803 where: short stacking energy: -5.053 Base-Backbone interact. energy: -0.012 local terms energy: -20.000011 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -1.671 flat angles P-C4'-P energy: -3.105 tors. eta vs tors. theta energy: -4.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -47.884287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.884287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.884287 (E_RNA) where: Base-Base interactions energy: -22.671 where: short stacking energy: -22.671 Base-Backbone interact. energy: -0.012 local terms energy: -25.201637 where: bonds (distance) C4'-P energy: -4.541 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -5.335 flat angles P-C4'-P energy: -4.041 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: 2, replica: 8 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -48.274358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.274358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.274358 (E_RNA) where: Base-Base interactions energy: -28.945 where: short stacking energy: -14.404 Base-Backbone interact. energy: 0.210 local terms energy: -19.539327 where: bonds (distance) C4'-P energy: -4.499 bonds (distance) P-C4' energy: -4.917 flat angles C4'-P-C4' energy: -4.323 flat angles P-C4'-P energy: -3.694 tors. eta vs tors. theta energy: -2.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -41.409458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.409458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.409458 (E_RNA) where: Base-Base interactions energy: -17.897 where: short stacking energy: -17.897 Base-Backbone interact. energy: -0.000 local terms energy: -23.512367 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -5.705 flat angles C4'-P-C4' energy: -4.530 flat angles P-C4'-P energy: -4.696 tors. eta vs tors. theta energy: -2.868 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: 4, replica: 4 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -48.494493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.494493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.494493 (E_RNA) where: Base-Base interactions energy: -23.152 where: short stacking energy: -23.152 Base-Backbone interact. energy: -0.066 local terms energy: -25.277147 where: bonds (distance) C4'-P energy: -5.277 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.809 flat angles P-C4'-P energy: -3.375 tors. eta vs tors. theta energy: -4.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -40.294343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.294343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.294343 (E_RNA) where: Base-Base interactions energy: -16.154 where: short stacking energy: -16.154 Base-Backbone interact. energy: -0.000 local terms energy: -24.139878 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -4.273 flat angles P-C4'-P energy: -3.132 tors. eta vs tors. theta energy: -5.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -48.276151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.276151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.276151 (E_RNA) where: Base-Base interactions energy: -19.315 where: short stacking energy: -19.315 Base-Backbone interact. energy: -0.000 local terms energy: -28.961243 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -5.418 flat angles P-C4'-P energy: -4.027 tors. eta vs tors. theta energy: -7.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -38.266646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.266646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.266646 (E_RNA) where: Base-Base interactions energy: -17.416 where: short stacking energy: -11.191 Base-Backbone interact. energy: -0.001 local terms energy: -20.850336 where: bonds (distance) C4'-P energy: -5.179 bonds (distance) P-C4' energy: -4.910 flat angles C4'-P-C4' energy: -6.098 flat angles P-C4'-P energy: -3.775 tors. eta vs tors. theta energy: -0.888 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: 10 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -39.731132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.731132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.731132 (E_RNA) where: Base-Base interactions energy: -17.242 where: short stacking energy: -17.242 Base-Backbone interact. energy: 0.099 local terms energy: -22.587381 where: bonds (distance) C4'-P energy: -1.113 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -4.376 flat angles P-C4'-P energy: -4.355 tors. eta vs tors. theta energy: -6.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -36.366952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.366952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.366952 (E_RNA) where: Base-Base interactions energy: -15.159 where: short stacking energy: -8.437 Base-Backbone interact. energy: -0.111 local terms energy: -21.097022 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.239 flat angles P-C4'-P energy: -2.173 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: 10, replica: 9 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -29.881808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.881808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.881808 (E_RNA) where: Base-Base interactions energy: -9.190 where: short stacking energy: -9.190 Base-Backbone interact. energy: -0.001 local terms energy: -20.691045 where: bonds (distance) C4'-P energy: -4.603 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.453 flat angles P-C4'-P energy: -1.843 tors. eta vs tors. theta energy: -1.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -47.516795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.516795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.516795 (E_RNA) where: Base-Base interactions energy: -20.213 where: short stacking energy: -20.213 Base-Backbone interact. energy: -0.000 local terms energy: -27.303977 where: bonds (distance) C4'-P energy: -5.286 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.786 flat angles P-C4'-P energy: -4.184 tors. eta vs tors. theta energy: -5.914 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: 2 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -39.991119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.991119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.991119 (E_RNA) where: Base-Base interactions energy: -23.779 where: short stacking energy: -16.271 Base-Backbone interact. energy: -0.100 local terms energy: -16.111172 where: bonds (distance) C4'-P energy: -5.285 bonds (distance) P-C4' energy: -5.071 flat angles C4'-P-C4' energy: -2.736 flat angles P-C4'-P energy: -1.771 tors. eta vs tors. theta energy: -1.248 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: 8 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -45.681093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.681093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.681093 (E_RNA) where: Base-Base interactions energy: -21.604 where: short stacking energy: -21.604 Base-Backbone interact. energy: -0.000 local terms energy: -24.077512 where: bonds (distance) C4'-P energy: -4.549 bonds (distance) P-C4' energy: -4.917 flat angles C4'-P-C4' energy: -4.445 flat angles P-C4'-P energy: -4.346 tors. eta vs tors. theta energy: -5.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -45.548067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.548067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.548067 (E_RNA) where: Base-Base interactions energy: -20.618 where: short stacking energy: -20.618 Base-Backbone interact. energy: -0.003 local terms energy: -24.927476 where: bonds (distance) C4'-P energy: -4.454 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -6.498 flat angles P-C4'-P energy: -5.174 tors. eta vs tors. theta energy: -2.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -40.517943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.517943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.517943 (E_RNA) where: Base-Base interactions energy: -17.835 where: short stacking energy: -17.835 Base-Backbone interact. energy: -0.000 local terms energy: -22.682972 where: bonds (distance) C4'-P energy: -3.353 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -5.845 flat angles P-C4'-P energy: -3.877 tors. eta vs tors. theta energy: -3.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -37.856491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.856491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.856491 (E_RNA) where: Base-Base interactions energy: -14.414 where: short stacking energy: -14.414 Base-Backbone interact. energy: -0.000 local terms energy: -23.442175 where: bonds (distance) C4'-P energy: -3.397 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -6.316 flat angles P-C4'-P energy: -3.114 tors. eta vs tors. theta energy: -5.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -33.443017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.443017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.443017 (E_RNA) where: Base-Base interactions energy: -10.417 where: short stacking energy: -10.417 Base-Backbone interact. energy: -0.053 local terms energy: -22.973584 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -3.720 flat angles P-C4'-P energy: -2.539 tors. eta vs tors. theta energy: -3.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -40.413504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.413504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.413504 (E_RNA) where: Base-Base interactions energy: -18.327 where: short stacking energy: -14.429 Base-Backbone interact. energy: -0.000 local terms energy: -22.086400 where: bonds (distance) C4'-P energy: -5.767 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -4.798 flat angles P-C4'-P energy: -3.767 tors. eta vs tors. theta energy: -2.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -35.403595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.403595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.403595 (E_RNA) where: Base-Base interactions energy: -13.083 where: short stacking energy: -13.083 Base-Backbone interact. energy: -0.000 local terms energy: -22.320598 where: bonds (distance) C4'-P energy: -4.877 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.686 flat angles P-C4'-P energy: -4.733 tors. eta vs tors. theta energy: -1.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -29.404547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.404547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.404547 (E_RNA) where: Base-Base interactions energy: -7.930 where: short stacking energy: -6.842 Base-Backbone interact. energy: -0.428 local terms energy: -21.046340 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -5.000 flat angles P-C4'-P energy: -4.824 tors. eta vs tors. theta energy: -0.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -44.322701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.322701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.322701 (E_RNA) where: Base-Base interactions energy: -19.703 where: short stacking energy: -19.703 Base-Backbone interact. energy: -0.000 local terms energy: -24.619743 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -4.212 flat angles P-C4'-P energy: -3.573 tors. eta vs tors. theta energy: -4.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -44.431310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.431310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.431310 (E_RNA) where: Base-Base interactions energy: -17.573 where: short stacking energy: -17.573 Base-Backbone interact. energy: -0.000 local terms energy: -26.858029 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -5.758 flat angles P-C4'-P energy: -4.685 tors. eta vs tors. theta energy: -4.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -49.153949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.153949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.153949 (E_RNA) where: Base-Base interactions energy: -27.570 where: short stacking energy: -14.416 Base-Backbone interact. energy: -0.106 local terms energy: -21.477452 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -5.576 flat angles C4'-P-C4' energy: -6.414 flat angles P-C4'-P energy: -2.335 tors. eta vs tors. theta energy: -1.101 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: 8 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -51.218072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.218072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.218072 (E_RNA) where: Base-Base interactions energy: -22.139 where: short stacking energy: -22.139 Base-Backbone interact. energy: -0.000 local terms energy: -29.079417 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.810 flat angles P-C4'-P energy: -4.627 tors. eta vs tors. theta energy: -6.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -33.916516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.916516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.916516 (E_RNA) where: Base-Base interactions energy: -12.339 where: short stacking energy: -10.990 Base-Backbone interact. energy: -0.007 local terms energy: -21.569876 where: bonds (distance) C4'-P energy: -5.244 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.934 flat angles P-C4'-P energy: -4.575 tors. eta vs tors. theta energy: -0.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -39.872751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.872751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.872751 (E_RNA) where: Base-Base interactions energy: -14.115 where: short stacking energy: -14.115 Base-Backbone interact. energy: -0.000 local terms energy: -25.758083 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -4.428 flat angles C4'-P-C4' energy: -5.515 flat angles P-C4'-P energy: -5.002 tors. eta vs tors. theta energy: -4.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -46.574804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.574804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.574804 (E_RNA) where: Base-Base interactions energy: -20.836 where: short stacking energy: -20.836 Base-Backbone interact. energy: -0.000 local terms energy: -25.738909 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -4.446 flat angles P-C4'-P energy: -4.743 tors. eta vs tors. theta energy: -3.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -34.985481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.985481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.985481 (E_RNA) where: Base-Base interactions energy: -14.670 where: short stacking energy: -14.670 Base-Backbone interact. energy: -0.000 local terms energy: -20.315218 where: bonds (distance) C4'-P energy: -4.276 bonds (distance) P-C4' energy: -5.604 flat angles C4'-P-C4' energy: -4.976 flat angles P-C4'-P energy: -1.324 tors. eta vs tors. theta energy: -4.135 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: 10 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -35.437867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.437867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.437867 (E_RNA) where: Base-Base interactions energy: -13.410 where: short stacking energy: -13.410 Base-Backbone interact. energy: -0.010 local terms energy: -22.017833 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -5.150 flat angles C4'-P-C4' energy: -5.079 flat angles P-C4'-P energy: -3.314 tors. eta vs tors. theta energy: -2.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -34.851042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.851042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.851042 (E_RNA) where: Base-Base interactions energy: -13.172 where: short stacking energy: -13.172 Base-Backbone interact. energy: -0.029 local terms energy: -21.649967 where: bonds (distance) C4'-P energy: -3.991 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.592 flat angles P-C4'-P energy: -4.059 tors. eta vs tors. theta energy: -0.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -46.001443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.001443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.001443 (E_RNA) where: Base-Base interactions energy: -24.476 where: short stacking energy: -24.476 Base-Backbone interact. energy: -0.000 local terms energy: -21.525377 where: bonds (distance) C4'-P energy: -4.143 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -4.771 flat angles P-C4'-P energy: -3.593 tors. eta vs tors. theta energy: -3.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -49.378975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.378975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.378975 (E_RNA) where: Base-Base interactions energy: -22.600 where: short stacking energy: -22.600 Base-Backbone interact. energy: -0.002 local terms energy: -26.776546 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -6.362 flat angles P-C4'-P energy: -4.116 tors. eta vs tors. theta energy: -6.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -46.511721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.511721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.511721 (E_RNA) where: Base-Base interactions energy: -16.679 where: short stacking energy: -16.679 Base-Backbone interact. energy: -0.000 local terms energy: -29.832542 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -6.523 flat angles P-C4'-P energy: -4.395 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: 4, replica: 3 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -41.549912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.549912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.549912 (E_RNA) where: Base-Base interactions energy: -16.611 where: short stacking energy: -16.611 Base-Backbone interact. energy: -0.000 local terms energy: -24.938144 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -6.125 flat angles C4'-P-C4' energy: -5.071 flat angles P-C4'-P energy: -3.675 tors. eta vs tors. theta energy: -5.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -41.936412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.936412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.936412 (E_RNA) where: Base-Base interactions energy: -22.451 where: short stacking energy: -22.451 Base-Backbone interact. energy: -0.010 local terms energy: -19.475816 where: bonds (distance) C4'-P energy: -3.912 bonds (distance) P-C4' energy: -5.452 flat angles C4'-P-C4' energy: -3.938 flat angles P-C4'-P energy: -4.080 tors. eta vs tors. theta energy: -2.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -37.596711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.596711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.596711 (E_RNA) where: Base-Base interactions energy: -17.684 where: short stacking energy: -17.684 Base-Backbone interact. energy: -0.000 local terms energy: -19.912931 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -2.299 flat angles P-C4'-P energy: -1.152 tors. eta vs tors. theta energy: -5.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -38.881425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.881425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.881425 (E_RNA) where: Base-Base interactions energy: -19.281 where: short stacking energy: -15.306 Base-Backbone interact. energy: -0.000 local terms energy: -19.600494 where: bonds (distance) C4'-P energy: -4.132 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -2.935 flat angles P-C4'-P energy: -3.760 tors. eta vs tors. theta energy: -2.596 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: 8, replica: 10 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -36.754665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.754665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.754665 (E_RNA) where: Base-Base interactions energy: -16.881 where: short stacking energy: -12.937 Base-Backbone interact. energy: -0.007 local terms energy: -19.866554 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -3.011 flat angles C4'-P-C4' energy: -4.884 flat angles P-C4'-P energy: -3.952 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: 9, replica: 6 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -35.609377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.609377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.609377 (E_RNA) where: Base-Base interactions energy: -13.399 where: short stacking energy: -11.264 Base-Backbone interact. energy: -0.121 local terms energy: -22.089695 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -5.318 flat angles C4'-P-C4' energy: -5.394 flat angles P-C4'-P energy: -4.441 tors. eta vs tors. theta energy: -1.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -31.279568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.279568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.279568 (E_RNA) where: Base-Base interactions energy: -10.782 where: short stacking energy: -10.782 Base-Backbone interact. energy: 0.198 local terms energy: -20.695700 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -4.812 flat angles C4'-P-C4' energy: -6.466 flat angles P-C4'-P energy: -3.411 tors. eta vs tors. theta energy: -1.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -51.618549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.618549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.618549 (E_RNA) where: Base-Base interactions energy: -24.893 where: short stacking energy: -24.893 Base-Backbone interact. energy: -0.000 local terms energy: -26.725832 where: bonds (distance) C4'-P energy: -5.303 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -5.887 flat angles P-C4'-P energy: -1.678 tors. eta vs tors. theta energy: -8.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -40.975423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.975423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.975423 (E_RNA) where: Base-Base interactions energy: -16.001 where: short stacking energy: -14.068 Base-Backbone interact. energy: -0.897 local terms energy: -24.077640 where: bonds (distance) C4'-P energy: -4.470 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.796 flat angles P-C4'-P energy: -4.241 tors. eta vs tors. theta energy: -4.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -43.643470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.643470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.643470 (E_RNA) where: Base-Base interactions energy: -18.839 where: short stacking energy: -18.839 Base-Backbone interact. energy: -0.000 local terms energy: -24.803992 where: bonds (distance) C4'-P energy: -4.135 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.965 flat angles P-C4'-P energy: -2.917 tors. eta vs tors. theta energy: -6.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -43.777118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.777118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.777118 (E_RNA) where: Base-Base interactions energy: -20.808 where: short stacking energy: -15.745 Base-Backbone interact. energy: -0.004 local terms energy: -22.965133 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -4.675 flat angles P-C4'-P energy: -3.690 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: 5, replica: 8 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -42.983128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.983128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.983128 (E_RNA) where: Base-Base interactions energy: -17.373 where: short stacking energy: -17.373 Base-Backbone interact. energy: -0.000 local terms energy: -25.610477 where: bonds (distance) C4'-P energy: -4.619 bonds (distance) P-C4' energy: -4.526 flat angles C4'-P-C4' energy: -5.614 flat angles P-C4'-P energy: -3.595 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: 6, replica: 4 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -38.531789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.531789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.531789 (E_RNA) where: Base-Base interactions energy: -19.750 where: short stacking energy: -19.750 Base-Backbone interact. energy: -0.000 local terms energy: -18.781285 where: bonds (distance) C4'-P energy: -3.084 bonds (distance) P-C4' energy: -4.849 flat angles C4'-P-C4' energy: -6.254 flat angles P-C4'-P energy: -1.914 tors. eta vs tors. theta energy: -2.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -42.513550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.513550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.513550 (E_RNA) where: Base-Base interactions energy: -19.384 where: short stacking energy: -19.384 Base-Backbone interact. energy: -0.000 local terms energy: -23.129208 where: bonds (distance) C4'-P energy: -4.044 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -3.642 flat angles P-C4'-P energy: -4.652 tors. eta vs tors. theta energy: -3.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -33.475274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.475274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.475274 (E_RNA) where: Base-Base interactions energy: -12.713 where: short stacking energy: -3.990 Base-Backbone interact. energy: -0.019 local terms energy: -20.742978 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.944 flat angles P-C4'-P energy: -3.886 tors. eta vs tors. theta energy: 2.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -33.626485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.626485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.626485 (E_RNA) where: Base-Base interactions energy: -9.662 where: short stacking energy: -9.662 Base-Backbone interact. energy: -0.001 local terms energy: -23.962951 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.981 flat angles P-C4'-P energy: -1.841 tors. eta vs tors. theta energy: -3.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -33.324580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.324580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.324580 (E_RNA) where: Base-Base interactions energy: -15.183 where: short stacking energy: -15.183 Base-Backbone interact. energy: -0.031 local terms energy: -18.111250 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -3.342 flat angles P-C4'-P energy: -2.867 tors. eta vs tors. theta energy: 0.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -54.690525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.690525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.690525 (E_RNA) where: Base-Base interactions energy: -25.902 where: short stacking energy: -25.902 Base-Backbone interact. energy: -0.000 local terms energy: -28.788857 where: bonds (distance) C4'-P energy: -5.112 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -6.696 flat angles P-C4'-P energy: -4.741 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: 2, replica: 5 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -49.425116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.425116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.425116 (E_RNA) where: Base-Base interactions energy: -20.871 where: short stacking energy: -20.871 Base-Backbone interact. energy: -0.000 local terms energy: -28.553793 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -6.136 flat angles P-C4'-P energy: -3.639 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: 3, replica: 1 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -45.298854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.298854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.298854 (E_RNA) where: Base-Base interactions energy: -18.604 where: short stacking energy: -18.604 Base-Backbone interact. energy: -0.000 local terms energy: -26.694446 where: bonds (distance) C4'-P energy: -5.349 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -5.394 flat angles P-C4'-P energy: -4.632 tors. eta vs tors. theta energy: -5.363 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: 297 Temperature: 1.050000 Total energy: -47.222626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.222626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.222626 (E_RNA) where: Base-Base interactions energy: -22.931 where: short stacking energy: -18.999 Base-Backbone interact. energy: -0.070 local terms energy: -24.221423 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -4.758 flat angles C4'-P-C4' energy: -6.554 flat angles P-C4'-P energy: -2.758 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: 5, replica: 3 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -38.146211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.146211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.146211 (E_RNA) where: Base-Base interactions energy: -15.169 where: short stacking energy: -15.169 Base-Backbone interact. energy: -0.001 local terms energy: -22.976758 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.490 flat angles P-C4'-P energy: -3.962 tors. eta vs tors. theta energy: 0.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -42.374765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.374765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.374765 (E_RNA) where: Base-Base interactions energy: -18.946 where: short stacking energy: -16.219 Base-Backbone interact. energy: -0.005 local terms energy: -23.424005 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -6.292 flat angles P-C4'-P energy: -1.818 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: 7, replica: 4 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -39.836893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.836893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.836893 (E_RNA) where: Base-Base interactions energy: -20.122 where: short stacking energy: -20.122 Base-Backbone interact. energy: -0.000 local terms energy: -19.714473 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -5.993 flat angles P-C4'-P energy: 0.074 tors. eta vs tors. theta energy: -3.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -40.070430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.070430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.070430 (E_RNA) where: Base-Base interactions energy: -18.312 where: short stacking energy: -18.312 Base-Backbone interact. energy: -0.021 local terms energy: -21.737410 where: bonds (distance) C4'-P energy: -2.763 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.713 flat angles P-C4'-P energy: -3.162 tors. eta vs tors. theta energy: -2.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -31.548935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.548935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.548935 (E_RNA) where: Base-Base interactions energy: -10.539 where: short stacking energy: -10.539 Base-Backbone interact. energy: -0.084 local terms energy: -20.926162 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -2.239 flat angles P-C4'-P energy: -2.837 tors. eta vs tors. theta energy: -3.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -31.247942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.247942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.247942 (E_RNA) where: Base-Base interactions energy: -12.623 where: short stacking energy: -8.495 Base-Backbone interact. energy: -0.078 local terms energy: -18.547765 where: bonds (distance) C4'-P energy: -2.554 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.802 flat angles P-C4'-P energy: -3.443 tors. eta vs tors. theta energy: -1.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -48.096413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.096413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.096413 (E_RNA) where: Base-Base interactions energy: -24.577 where: short stacking energy: -24.577 Base-Backbone interact. energy: -0.000 local terms energy: -23.519557 where: bonds (distance) C4'-P energy: -3.742 bonds (distance) P-C4' energy: -5.422 flat angles C4'-P-C4' energy: -4.738 flat angles P-C4'-P energy: -3.891 tors. eta vs tors. theta energy: -5.727 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: 5 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -48.723817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.723817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.723817 (E_RNA) where: Base-Base interactions energy: -22.215 where: short stacking energy: -22.215 Base-Backbone interact. energy: -0.000 local terms energy: -26.508215 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -6.448 flat angles P-C4'-P energy: -2.462 tors. eta vs tors. theta energy: -4.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -40.529194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.529194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.529194 (E_RNA) where: Base-Base interactions energy: -13.906 where: short stacking energy: -13.906 Base-Backbone interact. energy: -0.000 local terms energy: -26.623032 where: bonds (distance) C4'-P energy: -4.993 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.357 flat angles P-C4'-P energy: -5.411 tors. eta vs tors. theta energy: -4.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -40.144903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.144903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.144903 (E_RNA) where: Base-Base interactions energy: -13.952 where: short stacking energy: -13.952 Base-Backbone interact. energy: -0.019 local terms energy: -26.174695 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.604 flat angles P-C4'-P energy: -4.054 tors. eta vs tors. theta energy: -4.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -38.381595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.381595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.381595 (E_RNA) where: Base-Base interactions energy: -16.902 where: short stacking energy: -16.902 Base-Backbone interact. energy: -0.000 local terms energy: -21.478910 where: bonds (distance) C4'-P energy: -2.438 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -5.328 flat angles P-C4'-P energy: -4.576 tors. eta vs tors. theta energy: -3.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -38.400799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.400799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.400799 (E_RNA) where: Base-Base interactions energy: -14.037 where: short stacking energy: -14.037 Base-Backbone interact. energy: 0.057 local terms energy: -24.420725 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -5.134 flat angles P-C4'-P energy: -4.149 tors. eta vs tors. theta energy: -2.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -42.727504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.727504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.727504 (E_RNA) where: Base-Base interactions energy: -18.885 where: short stacking energy: -18.885 Base-Backbone interact. energy: -0.000 local terms energy: -23.842158 where: bonds (distance) C4'-P energy: -3.199 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.300 flat angles P-C4'-P energy: -4.034 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: 8, replica: 4 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -36.894863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.894863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.894863 (E_RNA) where: Base-Base interactions energy: -15.360 where: short stacking energy: -15.360 Base-Backbone interact. energy: -0.300 local terms energy: -21.234430 where: bonds (distance) C4'-P energy: -4.647 bonds (distance) P-C4' energy: -5.073 flat angles C4'-P-C4' energy: -4.852 flat angles P-C4'-P energy: -2.940 tors. eta vs tors. theta energy: -3.722 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: 9, replica: 6 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -29.316260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.316260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.316260 (E_RNA) where: Base-Base interactions energy: -7.380 where: short stacking energy: -6.300 Base-Backbone interact. energy: -0.002 local terms energy: -21.933780 where: bonds (distance) C4'-P energy: -3.725 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.690 flat angles P-C4'-P energy: -4.560 tors. eta vs tors. theta energy: -2.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -32.254639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.254639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.254639 (E_RNA) where: Base-Base interactions energy: -11.755 where: short stacking energy: -11.755 Base-Backbone interact. energy: -0.000 local terms energy: -20.499054 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -4.445 flat angles C4'-P-C4' energy: -5.701 flat angles P-C4'-P energy: -2.527 tors. eta vs tors. theta energy: -2.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -46.589394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.589394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.589394 (E_RNA) where: Base-Base interactions energy: -22.890 where: short stacking energy: -17.769 Base-Backbone interact. energy: -0.089 local terms energy: -23.609692 where: bonds (distance) C4'-P energy: -4.996 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -6.323 flat angles P-C4'-P energy: -3.766 tors. eta vs tors. theta energy: -3.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -52.342973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.342973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.342973 (E_RNA) where: Base-Base interactions energy: -25.241 where: short stacking energy: -25.241 Base-Backbone interact. energy: -0.000 local terms energy: -27.101780 where: bonds (distance) C4'-P energy: -6.263 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -3.742 flat angles P-C4'-P energy: -4.728 tors. eta vs tors. theta energy: -5.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -49.179398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.179398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.179398 (E_RNA) where: Base-Base interactions energy: -22.027 where: short stacking energy: -22.027 Base-Backbone interact. energy: -0.000 local terms energy: -27.152570 where: bonds (distance) C4'-P energy: -6.023 bonds (distance) P-C4' energy: -5.371 flat angles C4'-P-C4' energy: -4.962 flat angles P-C4'-P energy: -3.357 tors. eta vs tors. theta energy: -7.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -47.999099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.999099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.999099 (E_RNA) where: Base-Base interactions energy: -24.939 where: short stacking energy: -24.939 Base-Backbone interact. energy: -0.000 local terms energy: -23.059917 where: bonds (distance) C4'-P energy: -3.406 bonds (distance) P-C4' energy: -4.332 flat angles C4'-P-C4' energy: -5.955 flat angles P-C4'-P energy: -2.299 tors. eta vs tors. theta energy: -7.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -39.605379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.605379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.605379 (E_RNA) where: Base-Base interactions energy: -16.769 where: short stacking energy: -16.769 Base-Backbone interact. energy: -0.000 local terms energy: -22.836039 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -3.999 flat angles P-C4'-P energy: -3.154 tors. eta vs tors. theta energy: -4.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -39.490917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.490917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.490917 (E_RNA) where: Base-Base interactions energy: -14.632 where: short stacking energy: -14.632 Base-Backbone interact. energy: -0.000 local terms energy: -24.858488 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -2.867 flat angles P-C4'-P energy: -4.797 tors. eta vs tors. theta energy: -4.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -39.667650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.667650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.667650 (E_RNA) where: Base-Base interactions energy: -20.204 where: short stacking energy: -9.042 Base-Backbone interact. energy: -0.013 local terms energy: -19.450918 where: bonds (distance) C4'-P energy: -4.383 bonds (distance) P-C4' energy: -5.889 flat angles C4'-P-C4' energy: -4.470 flat angles P-C4'-P energy: -3.716 tors. eta vs tors. theta energy: -0.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -44.982339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.982339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.982339 (E_RNA) where: Base-Base interactions energy: -27.900 where: short stacking energy: -18.658 Base-Backbone interact. energy: -0.087 local terms energy: -16.995620 where: bonds (distance) C4'-P energy: -3.866 bonds (distance) P-C4' energy: -3.223 flat angles C4'-P-C4' energy: -5.429 flat angles P-C4'-P energy: -0.499 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: 9, replica: 4 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -33.931614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.931614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.931614 (E_RNA) where: Base-Base interactions energy: -12.393 where: short stacking energy: -12.393 Base-Backbone interact. energy: -0.045 local terms energy: -21.494023 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -3.173 flat angles P-C4'-P energy: -4.662 tors. eta vs tors. theta energy: -1.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -34.912957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.912957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.912957 (E_RNA) where: Base-Base interactions energy: -12.591 where: short stacking energy: -12.591 Base-Backbone interact. energy: -0.005 local terms energy: -22.317268 where: bonds (distance) C4'-P energy: -3.983 bonds (distance) P-C4' energy: -6.464 flat angles C4'-P-C4' energy: -5.957 flat angles P-C4'-P energy: -4.319 tors. eta vs tors. theta energy: -1.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -49.115915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.115915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.115915 (E_RNA) where: Base-Base interactions energy: -23.578 where: short stacking energy: -18.298 Base-Backbone interact. energy: -0.013 local terms energy: -25.524776 where: bonds (distance) C4'-P energy: -5.527 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -6.178 flat angles P-C4'-P energy: -4.444 tors. eta vs tors. theta energy: -3.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -45.368753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.368753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.368753 (E_RNA) where: Base-Base interactions energy: -23.272 where: short stacking energy: -17.491 Base-Backbone interact. energy: 0.723 local terms energy: -22.820590 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.410 flat angles P-C4'-P energy: -0.412 tors. eta vs tors. theta energy: -3.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -50.280945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.280945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.280945 (E_RNA) where: Base-Base interactions energy: -24.029 where: short stacking energy: -21.452 Base-Backbone interact. energy: -0.001 local terms energy: -26.251056 where: bonds (distance) C4'-P energy: -5.287 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -6.343 flat angles P-C4'-P energy: -3.613 tors. eta vs tors. theta energy: -6.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -46.227782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.227782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.227782 (E_RNA) where: Base-Base interactions energy: -19.808 where: short stacking energy: -19.808 Base-Backbone interact. energy: -0.000 local terms energy: -26.420150 where: bonds (distance) C4'-P energy: -4.631 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.335 flat angles P-C4'-P energy: -3.917 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: 5, replica: 9 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -47.692556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.692556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.692556 (E_RNA) where: Base-Base interactions energy: -20.524 where: short stacking energy: -20.524 Base-Backbone interact. energy: -0.000 local terms energy: -27.168594 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.179 flat angles P-C4'-P energy: -4.333 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: 6, replica: 1 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -40.211046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.211046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.211046 (E_RNA) where: Base-Base interactions energy: -18.098 where: short stacking energy: -18.098 Base-Backbone interact. energy: -0.043 local terms energy: -22.069929 where: bonds (distance) C4'-P energy: -3.190 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.624 flat angles P-C4'-P energy: -3.532 tors. eta vs tors. theta energy: -3.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -37.646170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.646170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.646170 (E_RNA) where: Base-Base interactions energy: -18.833 where: short stacking energy: -18.833 Base-Backbone interact. energy: -0.001 local terms energy: -18.812647 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -2.704 flat angles P-C4'-P energy: -4.578 tors. eta vs tors. theta energy: -0.723 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: 3 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -44.106372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.106372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.106372 (E_RNA) where: Base-Base interactions energy: -19.647 where: short stacking energy: -19.647 Base-Backbone interact. energy: -0.000 local terms energy: -24.459516 where: bonds (distance) C4'-P energy: -3.427 bonds (distance) P-C4' energy: -6.206 flat angles C4'-P-C4' energy: -5.705 flat angles P-C4'-P energy: -4.177 tors. eta vs tors. theta energy: -4.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -38.687730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.687730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.687730 (E_RNA) where: Base-Base interactions energy: -15.296 where: short stacking energy: -15.296 Base-Backbone interact. energy: -0.000 local terms energy: -23.391981 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -3.790 flat angles C4'-P-C4' energy: -6.716 flat angles P-C4'-P energy: -4.850 tors. eta vs tors. theta energy: -3.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -31.254056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.254056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.254056 (E_RNA) where: Base-Base interactions energy: -13.201 where: short stacking energy: -8.839 Base-Backbone interact. energy: 0.624 local terms energy: -18.676920 where: bonds (distance) C4'-P energy: -4.499 bonds (distance) P-C4' energy: -6.914 flat angles C4'-P-C4' energy: -4.036 flat angles P-C4'-P energy: -2.421 tors. eta vs tors. theta energy: -0.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -41.514132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.514132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.514132 (E_RNA) where: Base-Base interactions energy: -17.648 where: short stacking energy: -14.270 Base-Backbone interact. energy: -0.001 local terms energy: -23.865214 where: bonds (distance) C4'-P energy: -4.471 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -5.777 flat angles P-C4'-P energy: -4.183 tors. eta vs tors. theta energy: -3.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -47.474125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.474125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.474125 (E_RNA) where: Base-Base interactions energy: -26.342 where: short stacking energy: -18.974 Base-Backbone interact. energy: -0.146 local terms energy: -20.986172 where: bonds (distance) C4'-P energy: -5.128 bonds (distance) P-C4' energy: -4.067 flat angles C4'-P-C4' energy: -4.580 flat angles P-C4'-P energy: -3.913 tors. eta vs tors. theta energy: -3.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -41.578322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.578322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.578322 (E_RNA) where: Base-Base interactions energy: -15.534 where: short stacking energy: -12.932 Base-Backbone interact. energy: -0.005 local terms energy: -26.039646 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.218 flat angles P-C4'-P energy: -3.118 tors. eta vs tors. theta energy: -4.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -40.506023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.506023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.506023 (E_RNA) where: Base-Base interactions energy: -12.671 where: short stacking energy: -12.671 Base-Backbone interact. energy: -0.000 local terms energy: -27.835111 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.976 flat angles P-C4'-P energy: -4.204 tors. eta vs tors. theta energy: -4.818 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: 5 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -45.995961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.995961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.995961 (E_RNA) where: Base-Base interactions energy: -21.611 where: short stacking energy: -21.611 Base-Backbone interact. energy: -0.000 local terms energy: -24.385127 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -5.231 flat angles P-C4'-P energy: -3.004 tors. eta vs tors. theta energy: -4.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -38.296980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.296980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.296980 (E_RNA) where: Base-Base interactions energy: -13.765 where: short stacking energy: -13.765 Base-Backbone interact. energy: 0.120 local terms energy: -24.652094 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -5.950 flat angles P-C4'-P energy: -4.356 tors. eta vs tors. theta energy: -3.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -36.087694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.087694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.087694 (E_RNA) where: Base-Base interactions energy: -12.525 where: short stacking energy: -12.525 Base-Backbone interact. energy: -0.000 local terms energy: -23.562266 where: bonds (distance) C4'-P energy: -1.792 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.098 flat angles P-C4'-P energy: -5.004 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: 7 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -32.985813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.985813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.985813 (E_RNA) where: Base-Base interactions energy: -14.225 where: short stacking energy: -14.225 Base-Backbone interact. energy: -0.043 local terms energy: -18.717753 where: bonds (distance) C4'-P energy: -5.327 bonds (distance) P-C4' energy: -5.843 flat angles C4'-P-C4' energy: -4.809 flat angles P-C4'-P energy: -2.924 tors. eta vs tors. theta energy: 0.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -33.715632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.715632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.715632 (E_RNA) where: Base-Base interactions energy: -8.720 where: short stacking energy: -8.720 Base-Backbone interact. energy: 0.263 local terms energy: -25.257966 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -5.606 flat angles C4'-P-C4' energy: -5.240 flat angles P-C4'-P energy: -5.677 tors. eta vs tors. theta energy: -3.760 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: 4 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -34.418289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.418289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.418289 (E_RNA) where: Base-Base interactions energy: -13.449 where: short stacking energy: -13.449 Base-Backbone interact. energy: -0.000 local terms energy: -20.968745 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -3.733 flat angles C4'-P-C4' energy: -3.283 flat angles P-C4'-P energy: -4.668 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: 1, replica: 10 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -49.042418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.042418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.042418 (E_RNA) where: Base-Base interactions energy: -25.062 where: short stacking energy: -16.006 Base-Backbone interact. energy: 0.514 local terms energy: -24.494907 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -4.642 flat angles P-C4'-P energy: -3.237 tors. eta vs tors. theta energy: -3.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -49.741893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.741893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.741893 (E_RNA) where: Base-Base interactions energy: -22.969 where: short stacking energy: -22.969 Base-Backbone interact. energy: -0.000 local terms energy: -26.772695 where: bonds (distance) C4'-P energy: -2.889 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -6.062 flat angles P-C4'-P energy: -5.573 tors. eta vs tors. theta energy: -5.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -52.298669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.298669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.298669 (E_RNA) where: Base-Base interactions energy: -34.594 where: short stacking energy: -12.417 Base-Backbone interact. energy: -0.000 local terms energy: -17.704813 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -5.563 flat angles C4'-P-C4' energy: -5.069 flat angles P-C4'-P energy: -1.811 tors. eta vs tors. theta energy: 0.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -32.715370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.715370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.715370 (E_RNA) where: Base-Base interactions energy: -11.225 where: short stacking energy: -11.225 Base-Backbone interact. energy: -0.349 local terms energy: -21.141496 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -5.871 flat angles P-C4'-P energy: -3.962 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: 5, replica: 6 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -45.966598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.966598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.966598 (E_RNA) where: Base-Base interactions energy: -19.277 where: short stacking energy: -13.338 Base-Backbone interact. energy: -0.130 local terms energy: -26.560131 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -5.920 flat angles C4'-P-C4' energy: -5.655 flat angles P-C4'-P energy: -4.813 tors. eta vs tors. theta energy: -4.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -37.370605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.370605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.370605 (E_RNA) where: Base-Base interactions energy: -14.959 where: short stacking energy: -14.959 Base-Backbone interact. energy: -0.000 local terms energy: -22.411375 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -2.694 flat angles C4'-P-C4' energy: -6.307 flat angles P-C4'-P energy: -2.396 tors. eta vs tors. theta energy: -5.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -34.963959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.963959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.963959 (E_RNA) where: Base-Base interactions energy: -17.365 where: short stacking energy: -16.153 Base-Backbone interact. energy: -0.040 local terms energy: -17.558821 where: bonds (distance) C4'-P energy: -5.117 bonds (distance) P-C4' energy: -6.125 flat angles C4'-P-C4' energy: -3.144 flat angles P-C4'-P energy: -5.105 tors. eta vs tors. theta energy: 1.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -40.753013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.753013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.753013 (E_RNA) where: Base-Base interactions energy: -16.165 where: short stacking energy: -16.165 Base-Backbone interact. energy: -0.000 local terms energy: -24.587807 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.898 flat angles P-C4'-P energy: -3.856 tors. eta vs tors. theta energy: -3.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -38.109503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.109503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.109503 (E_RNA) where: Base-Base interactions energy: -12.557 where: short stacking energy: -12.557 Base-Backbone interact. energy: -0.000 local terms energy: -25.552528 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.543 flat angles P-C4'-P energy: -5.113 tors. eta vs tors. theta energy: -3.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -33.244322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.244322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.244322 (E_RNA) where: Base-Base interactions energy: -11.957 where: short stacking energy: -11.957 Base-Backbone interact. energy: -0.107 local terms energy: -21.179588 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -5.898 flat angles C4'-P-C4' energy: -6.460 flat angles P-C4'-P energy: -4.645 tors. eta vs tors. theta energy: 0.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -49.326784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.326784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.326784 (E_RNA) where: Base-Base interactions energy: -23.751 where: short stacking energy: -23.751 Base-Backbone interact. energy: -0.000 local terms energy: -25.576041 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -5.051 flat angles C4'-P-C4' energy: -3.364 flat angles P-C4'-P energy: -4.558 tors. eta vs tors. theta energy: -7.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -47.928952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.928952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.928952 (E_RNA) where: Base-Base interactions energy: -18.549 where: short stacking energy: -18.549 Base-Backbone interact. energy: -0.000 local terms energy: -29.379942 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.603 flat angles P-C4'-P energy: -5.319 tors. eta vs tors. theta energy: -6.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -42.655402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.655402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.655402 (E_RNA) where: Base-Base interactions energy: -23.237 where: short stacking energy: -14.355 Base-Backbone interact. energy: -0.002 local terms energy: -19.415747 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -0.671 flat angles P-C4'-P energy: -5.079 tors. eta vs tors. theta energy: -1.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -41.549396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.549396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.549396 (E_RNA) where: Base-Base interactions energy: -17.242 where: short stacking energy: -10.588 Base-Backbone interact. energy: -0.633 local terms energy: -23.674809 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.545 flat angles P-C4'-P energy: -5.083 tors. eta vs tors. theta energy: -1.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -50.940181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.940181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.940181 (E_RNA) where: Base-Base interactions energy: -26.740 where: short stacking energy: -18.775 Base-Backbone interact. energy: -0.096 local terms energy: -24.104679 where: bonds (distance) C4'-P energy: -5.688 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -6.490 flat angles P-C4'-P energy: -2.639 tors. eta vs tors. theta energy: -3.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -31.429446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.429446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.429446 (E_RNA) where: Base-Base interactions energy: -13.012 where: short stacking energy: -13.012 Base-Backbone interact. energy: -0.025 local terms energy: -18.392597 where: bonds (distance) C4'-P energy: -5.336 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -1.466 flat angles P-C4'-P energy: -4.437 tors. eta vs tors. theta energy: -1.324 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: 7, replica: 5 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -37.419894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.419894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.419894 (E_RNA) where: Base-Base interactions energy: -15.805 where: short stacking energy: -15.805 Base-Backbone interact. energy: -0.000 local terms energy: -21.614535 where: bonds (distance) C4'-P energy: -2.848 bonds (distance) P-C4' energy: -6.094 flat angles C4'-P-C4' energy: -5.715 flat angles P-C4'-P energy: -1.317 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: 4 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -34.422802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.422802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.422802 (E_RNA) where: Base-Base interactions energy: -14.120 where: short stacking energy: -14.120 Base-Backbone interact. energy: -0.009 local terms energy: -20.293002 where: bonds (distance) C4'-P energy: -4.242 bonds (distance) P-C4' energy: -3.755 flat angles C4'-P-C4' energy: -4.004 flat angles P-C4'-P energy: -4.664 tors. eta vs tors. theta energy: -3.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -36.833808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.833808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.833808 (E_RNA) where: Base-Base interactions energy: -14.900 where: short stacking energy: -14.900 Base-Backbone interact. energy: -0.001 local terms energy: -21.932789 where: bonds (distance) C4'-P energy: -4.913 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -4.986 flat angles P-C4'-P energy: -4.327 tors. eta vs tors. theta energy: -1.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -33.173742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.173742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.173742 (E_RNA) where: Base-Base interactions energy: -11.699 where: short stacking energy: -11.699 Base-Backbone interact. energy: -0.001 local terms energy: -21.473548 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.843 flat angles P-C4'-P energy: -4.159 tors. eta vs tors. theta energy: -0.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -51.643193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.643193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.643193 (E_RNA) where: Base-Base interactions energy: -22.492 where: short stacking energy: -22.492 Base-Backbone interact. energy: -0.000 local terms energy: -29.151563 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.964 flat angles P-C4'-P energy: -4.157 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: 2, replica: 10 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -51.570770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.570770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.570770 (E_RNA) where: Base-Base interactions energy: -24.087 where: short stacking energy: -24.087 Base-Backbone interact. energy: -0.000 local terms energy: -27.483752 where: bonds (distance) C4'-P energy: -5.241 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -5.080 flat angles P-C4'-P energy: -3.484 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: 3, replica: 9 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -42.562058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.562058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.562058 (E_RNA) where: Base-Base interactions energy: -20.116 where: short stacking energy: -20.116 Base-Backbone interact. energy: -0.074 local terms energy: -22.372067 where: bonds (distance) C4'-P energy: -4.524 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -2.544 flat angles P-C4'-P energy: -4.864 tors. eta vs tors. theta energy: -3.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -49.808594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.808594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.808594 (E_RNA) where: Base-Base interactions energy: -25.108 where: short stacking energy: -20.717 Base-Backbone interact. energy: -0.000 local terms energy: -24.700963 where: bonds (distance) C4'-P energy: -5.349 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.465 flat angles P-C4'-P energy: -2.072 tors. eta vs tors. theta energy: -4.682 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: 7 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -44.666818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.666818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.666818 (E_RNA) where: Base-Base interactions energy: -20.987 where: short stacking energy: -15.323 Base-Backbone interact. energy: -0.032 local terms energy: -23.647995 where: bonds (distance) C4'-P energy: -4.939 bonds (distance) P-C4' energy: -5.438 flat angles C4'-P-C4' energy: -5.657 flat angles P-C4'-P energy: -4.509 tors. eta vs tors. theta energy: -3.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -37.732917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.732917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.732917 (E_RNA) where: Base-Base interactions energy: -12.241 where: short stacking energy: -12.241 Base-Backbone interact. energy: -0.004 local terms energy: -25.487199 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.916 flat angles P-C4'-P energy: -4.517 tors. eta vs tors. theta energy: -2.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -37.662873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.662873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.662873 (E_RNA) where: Base-Base interactions energy: -14.876 where: short stacking energy: -11.382 Base-Backbone interact. energy: -0.300 local terms energy: -22.487539 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -5.945 flat angles C4'-P-C4' energy: -2.721 flat angles P-C4'-P energy: -3.808 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: 8, replica: 5 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -34.263675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.263675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.263675 (E_RNA) where: Base-Base interactions energy: -14.036 where: short stacking energy: -14.036 Base-Backbone interact. energy: -0.001 local terms energy: -20.226437 where: bonds (distance) C4'-P energy: -3.076 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.170 flat angles P-C4'-P energy: -4.364 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: 9, replica: 3 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -31.518220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.518220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.518220 (E_RNA) where: Base-Base interactions energy: -11.453 where: short stacking energy: -11.453 Base-Backbone interact. energy: -0.000 local terms energy: -20.065023 where: bonds (distance) C4'-P energy: -2.625 bonds (distance) P-C4' energy: -5.435 flat angles C4'-P-C4' energy: -5.904 flat angles P-C4'-P energy: -1.704 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: 10, replica: 1 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -34.015161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.015161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.015161 (E_RNA) where: Base-Base interactions energy: -17.157 where: short stacking energy: -11.968 Base-Backbone interact. energy: -0.459 local terms energy: -16.398817 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -1.537 flat angles C4'-P-C4' energy: -6.082 flat angles P-C4'-P energy: -0.925 tors. eta vs tors. theta energy: -1.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -53.952478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.952478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.952478 (E_RNA) where: Base-Base interactions energy: -25.495 where: short stacking energy: -25.495 Base-Backbone interact. energy: -0.000 local terms energy: -28.457597 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.761 flat angles P-C4'-P energy: -2.729 tors. eta vs tors. theta energy: -7.866 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: 9 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -37.376299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.376299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.376299 (E_RNA) where: Base-Base interactions energy: -12.432 where: short stacking energy: -12.432 Base-Backbone interact. energy: -0.000 local terms energy: -24.944612 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -3.028 flat angles P-C4'-P energy: -5.156 tors. eta vs tors. theta energy: -3.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -47.275014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.275014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.275014 (E_RNA) where: Base-Base interactions energy: -25.556 where: short stacking energy: -12.563 Base-Backbone interact. energy: -0.007 local terms energy: -21.711237 where: bonds (distance) C4'-P energy: -4.052 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.309 flat angles P-C4'-P energy: -4.171 tors. eta vs tors. theta energy: -1.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -50.628371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.628371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.628371 (E_RNA) where: Base-Base interactions energy: -24.267 where: short stacking energy: -24.267 Base-Backbone interact. energy: -0.000 local terms energy: -26.361068 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -3.669 flat angles P-C4'-P energy: -4.731 tors. eta vs tors. theta energy: -6.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -39.680987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.680987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.680987 (E_RNA) where: Base-Base interactions energy: -16.410 where: short stacking energy: -15.755 Base-Backbone interact. energy: -0.006 local terms energy: -23.265566 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.506 flat angles P-C4'-P energy: -2.753 tors. eta vs tors. theta energy: -3.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -39.420105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.420105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.420105 (E_RNA) where: Base-Base interactions energy: -16.525 where: short stacking energy: -16.525 Base-Backbone interact. energy: -0.001 local terms energy: -22.893794 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -5.283 flat angles C4'-P-C4' energy: -3.439 flat angles P-C4'-P energy: -4.730 tors. eta vs tors. theta energy: -4.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -33.697161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.697161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.697161 (E_RNA) where: Base-Base interactions energy: -10.740 where: short stacking energy: -10.740 Base-Backbone interact. energy: -0.000 local terms energy: -22.957321 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -4.463 flat angles C4'-P-C4' energy: -5.796 flat angles P-C4'-P energy: -4.733 tors. eta vs tors. theta energy: -2.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -32.032811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.032811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.032811 (E_RNA) where: Base-Base interactions energy: -10.876 where: short stacking energy: -10.876 Base-Backbone interact. energy: -0.056 local terms energy: -21.100582 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -4.802 flat angles P-C4'-P energy: -3.507 tors. eta vs tors. theta energy: -0.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -33.689025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.689025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.689025 (E_RNA) where: Base-Base interactions energy: -11.248 where: short stacking energy: -11.248 Base-Backbone interact. energy: -0.097 local terms energy: -22.343771 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -5.040 flat angles P-C4'-P energy: -4.466 tors. eta vs tors. theta energy: -2.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -38.901576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.901576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.901576 (E_RNA) where: Base-Base interactions energy: -17.089 where: short stacking energy: -17.089 Base-Backbone interact. energy: -0.007 local terms energy: -21.805003 where: bonds (distance) C4'-P energy: -5.207 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.864 flat angles P-C4'-P energy: -1.159 tors. eta vs tors. theta energy: -2.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -46.815012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.815012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.815012 (E_RNA) where: Base-Base interactions energy: -22.822 where: short stacking energy: -19.788 Base-Backbone interact. energy: -0.256 local terms energy: -23.736677 where: bonds (distance) C4'-P energy: -2.997 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.964 flat angles P-C4'-P energy: -4.629 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: 2, replica: 8 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -50.936310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.936310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.936310 (E_RNA) where: Base-Base interactions energy: -25.022 where: short stacking energy: -25.022 Base-Backbone interact. energy: -0.000 local terms energy: -25.914143 where: bonds (distance) C4'-P energy: -4.318 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -4.505 flat angles P-C4'-P energy: -4.293 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: 3, replica: 7 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -48.027046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.027046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.027046 (E_RNA) where: Base-Base interactions energy: -21.395 where: short stacking energy: -21.395 Base-Backbone interact. energy: -0.000 local terms energy: -26.632456 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -4.490 flat angles P-C4'-P energy: -4.966 tors. eta vs tors. theta energy: -4.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -43.239359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.239359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.239359 (E_RNA) where: Base-Base interactions energy: -21.284 where: short stacking energy: -21.284 Base-Backbone interact. energy: -0.000 local terms energy: -21.955618 where: bonds (distance) C4'-P energy: -3.395 bonds (distance) P-C4' energy: -4.757 flat angles C4'-P-C4' energy: -5.710 flat angles P-C4'-P energy: -3.945 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: 5, replica: 4 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -41.918756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.918756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.918756 (E_RNA) where: Base-Base interactions energy: -19.120 where: short stacking energy: -19.120 Base-Backbone interact. energy: -0.000 local terms energy: -22.799175 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -3.842 flat angles P-C4'-P energy: -3.610 tors. eta vs tors. theta energy: -4.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -34.916903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.916903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.916903 (E_RNA) where: Base-Base interactions energy: -12.390 where: short stacking energy: -12.390 Base-Backbone interact. energy: -0.005 local terms energy: -22.522202 where: bonds (distance) C4'-P energy: -4.169 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -6.710 flat angles P-C4'-P energy: -2.932 tors. eta vs tors. theta energy: -2.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -41.268506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.268506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.268506 (E_RNA) where: Base-Base interactions energy: -16.295 where: short stacking energy: -16.295 Base-Backbone interact. energy: -0.037 local terms energy: -24.936740 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -6.469 flat angles P-C4'-P energy: -4.103 tors. eta vs tors. theta energy: -3.017 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: 2 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -33.596875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.596875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.596875 (E_RNA) where: Base-Base interactions energy: -15.084 where: short stacking energy: -15.084 Base-Backbone interact. energy: -0.036 local terms energy: -18.476263 where: bonds (distance) C4'-P energy: -3.680 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.933 flat angles P-C4'-P energy: -4.214 tors. eta vs tors. theta energy: 0.800 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: 9, replica: 1 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -33.851457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.851457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.851457 (E_RNA) where: Base-Base interactions energy: -11.210 where: short stacking energy: -11.210 Base-Backbone interact. energy: -0.005 local terms energy: -22.635690 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.661 flat angles P-C4'-P energy: -2.981 tors. eta vs tors. theta energy: -1.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -30.393854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.393854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.393854 (E_RNA) where: Base-Base interactions energy: -11.330 where: short stacking energy: -11.330 Base-Backbone interact. energy: -0.093 local terms energy: -18.970988 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -3.991 flat angles P-C4'-P energy: -1.715 tors. eta vs tors. theta energy: -2.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -46.232980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.232980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.232980 (E_RNA) where: Base-Base interactions energy: -19.625 where: short stacking energy: -19.625 Base-Backbone interact. energy: -0.000 local terms energy: -26.607960 where: bonds (distance) C4'-P energy: -4.743 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -6.024 flat angles P-C4'-P energy: -4.595 tors. eta vs tors. theta energy: -5.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -52.698384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.698384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.698384 (E_RNA) where: Base-Base interactions energy: -25.488 where: short stacking energy: -25.488 Base-Backbone interact. energy: -0.000 local terms energy: -27.210672 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -5.104 flat angles C4'-P-C4' energy: -4.552 flat angles P-C4'-P energy: -4.257 tors. eta vs tors. theta energy: -7.462 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: 3, replica: 8 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -39.500634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.500634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.500634 (E_RNA) where: Base-Base interactions energy: -17.729 where: short stacking energy: -17.729 Base-Backbone interact. energy: -0.000 local terms energy: -21.771538 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -5.799 flat angles P-C4'-P energy: -3.582 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: 4, replica: 4 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -47.803200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.803200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.803200 (E_RNA) where: Base-Base interactions energy: -23.612 where: short stacking energy: -15.577 Base-Backbone interact. energy: -0.028 local terms energy: -24.163746 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.184 flat angles C4'-P-C4' energy: -5.588 flat angles P-C4'-P energy: -3.846 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: 5, replica: 10 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -42.807642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.807642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.807642 (E_RNA) where: Base-Base interactions energy: -15.071 where: short stacking energy: -15.071 Base-Backbone interact. energy: -0.000 local terms energy: -27.736809 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.167 flat angles P-C4'-P energy: -3.597 tors. eta vs tors. theta energy: -5.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -37.535892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.535892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.535892 (E_RNA) where: Base-Base interactions energy: -15.609 where: short stacking energy: -13.185 Base-Backbone interact. energy: -0.588 local terms energy: -21.338597 where: bonds (distance) C4'-P energy: -3.415 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.208 flat angles P-C4'-P energy: -3.646 tors. eta vs tors. theta energy: -2.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -37.433752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.433752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.433752 (E_RNA) where: Base-Base interactions energy: -16.304 where: short stacking energy: -16.304 Base-Backbone interact. energy: -0.000 local terms energy: -21.129288 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -5.563 flat angles C4'-P-C4' energy: -4.843 flat angles P-C4'-P energy: -1.264 tors. eta vs tors. theta energy: -3.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -36.306505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.306505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.306505 (E_RNA) where: Base-Base interactions energy: -12.720 where: short stacking energy: -12.064 Base-Backbone interact. energy: -0.013 local terms energy: -23.573926 where: bonds (distance) C4'-P energy: -5.179 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -5.200 flat angles P-C4'-P energy: -3.407 tors. eta vs tors. theta energy: -3.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -36.808026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.808026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.808026 (E_RNA) where: Base-Base interactions energy: -11.649 where: short stacking energy: -11.649 Base-Backbone interact. energy: -0.000 local terms energy: -25.158956 where: bonds (distance) C4'-P energy: -3.680 bonds (distance) P-C4' energy: -5.370 flat angles C4'-P-C4' energy: -6.377 flat angles P-C4'-P energy: -5.191 tors. eta vs tors. theta energy: -4.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -31.309466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.309466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.309466 (E_RNA) where: Base-Base interactions energy: -12.301 where: short stacking energy: -12.301 Base-Backbone interact. energy: -0.055 local terms energy: -18.954009 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -3.495 flat angles C4'-P-C4' energy: -4.774 flat angles P-C4'-P energy: -4.391 tors. eta vs tors. theta energy: -1.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -51.874704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.874704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.874704 (E_RNA) where: Base-Base interactions energy: -24.726 where: short stacking energy: -24.726 Base-Backbone interact. energy: -0.000 local terms energy: -27.148907 where: bonds (distance) C4'-P energy: -4.871 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -5.961 flat angles P-C4'-P energy: -3.589 tors. eta vs tors. theta energy: -6.540 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: 7 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -55.989832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.989832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.989832 (E_RNA) where: Base-Base interactions energy: -25.729 where: short stacking energy: -25.729 Base-Backbone interact. energy: -0.000 local terms energy: -30.260772 where: bonds (distance) C4'-P energy: -5.510 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.256 flat angles P-C4'-P energy: -4.484 tors. eta vs tors. theta energy: -8.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -37.902153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.902153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.902153 (E_RNA) where: Base-Base interactions energy: -16.210 where: short stacking energy: -16.210 Base-Backbone interact. energy: -0.001 local terms energy: -21.691715 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -5.576 flat angles C4'-P-C4' energy: -5.763 flat angles P-C4'-P energy: -2.800 tors. eta vs tors. theta energy: -2.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -41.973344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.973344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.973344 (E_RNA) where: Base-Base interactions energy: -18.153 where: short stacking energy: -16.291 Base-Backbone interact. energy: -0.092 local terms energy: -23.728070 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -5.604 flat angles C4'-P-C4' energy: -5.603 flat angles P-C4'-P energy: -3.630 tors. eta vs tors. theta energy: -3.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -39.249236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.249236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.249236 (E_RNA) where: Base-Base interactions energy: -16.141 where: short stacking energy: -16.141 Base-Backbone interact. energy: -0.082 local terms energy: -23.026555 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.467 flat angles P-C4'-P energy: -2.936 tors. eta vs tors. theta energy: -2.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -45.792121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.792121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.792121 (E_RNA) where: Base-Base interactions energy: -21.519 where: short stacking energy: -21.519 Base-Backbone interact. energy: -0.001 local terms energy: -24.272186 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -3.513 flat angles C4'-P-C4' energy: -5.271 flat angles P-C4'-P energy: -4.074 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: 7, replica: 6 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -39.862518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.862518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.862518 (E_RNA) where: Base-Base interactions energy: -15.956 where: short stacking energy: -15.956 Base-Backbone interact. energy: -0.000 local terms energy: -23.906502 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -4.910 flat angles C4'-P-C4' energy: -5.360 flat angles P-C4'-P energy: -4.085 tors. eta vs tors. theta energy: -3.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -37.628798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.628798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.628798 (E_RNA) where: Base-Base interactions energy: -17.969 where: short stacking energy: -17.969 Base-Backbone interact. energy: -0.000 local terms energy: -19.659566 where: bonds (distance) C4'-P energy: -2.516 bonds (distance) P-C4' energy: -5.171 flat angles C4'-P-C4' energy: -5.944 flat angles P-C4'-P energy: -1.065 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: 9, replica: 5 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -35.785852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.785852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.785852 (E_RNA) where: Base-Base interactions energy: -14.083 where: short stacking energy: -14.083 Base-Backbone interact. energy: -0.000 local terms energy: -21.703017 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -3.911 flat angles P-C4'-P energy: -3.531 tors. eta vs tors. theta energy: -2.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -33.930754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.930754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.930754 (E_RNA) where: Base-Base interactions energy: -15.595 where: short stacking energy: -12.459 Base-Backbone interact. energy: -0.020 local terms energy: -18.315547 where: bonds (distance) C4'-P energy: -3.316 bonds (distance) P-C4' energy: -3.391 flat angles C4'-P-C4' energy: -5.325 flat angles P-C4'-P energy: -4.720 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: 9 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -47.351923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.351923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.351923 (E_RNA) where: Base-Base interactions energy: -29.153 where: short stacking energy: -6.435 Base-Backbone interact. energy: -0.005 local terms energy: -18.193589 where: bonds (distance) C4'-P energy: -3.353 bonds (distance) P-C4' energy: -6.914 flat angles C4'-P-C4' energy: -5.457 flat angles P-C4'-P energy: 0.021 tors. eta vs tors. theta energy: -2.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -45.670101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.670101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.670101 (E_RNA) where: Base-Base interactions energy: -19.330 where: short stacking energy: -19.330 Base-Backbone interact. energy: -0.008 local terms energy: -26.332104 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.833 flat angles P-C4'-P energy: -5.093 tors. eta vs tors. theta energy: -2.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -49.469556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.469556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.469556 (E_RNA) where: Base-Base interactions energy: -22.228 where: short stacking energy: -22.228 Base-Backbone interact. energy: -0.000 local terms energy: -27.241595 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.358 flat angles C4'-P-C4' energy: -5.283 flat angles P-C4'-P energy: -4.117 tors. eta vs tors. theta energy: -5.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -40.097032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.097032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.097032 (E_RNA) where: Base-Base interactions energy: -14.481 where: short stacking energy: -14.481 Base-Backbone interact. energy: -0.002 local terms energy: -25.613628 where: bonds (distance) C4'-P energy: -5.626 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.243 flat angles P-C4'-P energy: -4.456 tors. eta vs tors. theta energy: -2.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -42.852396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.852396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.852396 (E_RNA) where: Base-Base interactions energy: -16.987 where: short stacking energy: -16.987 Base-Backbone interact. energy: -0.000 local terms energy: -25.864939 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -6.578 flat angles P-C4'-P energy: -3.079 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: 6, replica: 6 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -45.463498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.463498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.463498 (E_RNA) where: Base-Base interactions energy: -20.291 where: short stacking energy: -20.291 Base-Backbone interact. energy: -0.001 local terms energy: -25.171536 where: bonds (distance) C4'-P energy: -3.440 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -4.916 flat angles P-C4'-P energy: -4.484 tors. eta vs tors. theta energy: -5.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -38.652808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.652808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.652808 (E_RNA) where: Base-Base interactions energy: -22.195 where: short stacking energy: -11.873 Base-Backbone interact. energy: -0.007 local terms energy: -16.451080 where: bonds (distance) C4'-P energy: -4.401 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -3.284 flat angles P-C4'-P energy: -2.595 tors. eta vs tors. theta energy: 0.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -37.117293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.117293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.117293 (E_RNA) where: Base-Base interactions energy: -16.503 where: short stacking energy: -16.503 Base-Backbone interact. energy: -0.000 local terms energy: -20.614352 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -5.244 flat angles P-C4'-P energy: -2.484 tors. eta vs tors. theta energy: -1.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -39.105949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.105949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.105949 (E_RNA) where: Base-Base interactions energy: -15.744 where: short stacking energy: -15.744 Base-Backbone interact. energy: -0.030 local terms energy: -23.332229 where: bonds (distance) C4'-P energy: -3.965 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -5.300 flat angles P-C4'-P energy: -5.411 tors. eta vs tors. theta energy: -4.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -38.326416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.326416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.326416 (E_RNA) where: Base-Base interactions energy: -11.942 where: short stacking energy: -11.942 Base-Backbone interact. energy: -0.000 local terms energy: -26.384584 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -4.773 flat angles P-C4'-P energy: -4.709 tors. eta vs tors. theta energy: -5.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -49.365678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.365678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.365678 (E_RNA) where: Base-Base interactions energy: -24.246 where: short stacking energy: -24.246 Base-Backbone interact. energy: -0.013 local terms energy: -25.106184 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.198 flat angles P-C4'-P energy: -3.038 tors. eta vs tors. theta energy: -5.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -52.956212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.956212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.956212 (E_RNA) where: Base-Base interactions energy: -22.385 where: short stacking energy: -22.385 Base-Backbone interact. energy: -0.000 local terms energy: -30.571592 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.829 flat angles P-C4'-P energy: -4.602 tors. eta vs tors. theta energy: -7.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -51.551238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.551238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.551238 (E_RNA) where: Base-Base interactions energy: -25.018 where: short stacking energy: -25.018 Base-Backbone interact. energy: -0.000 local terms energy: -26.533018 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -5.261 flat angles C4'-P-C4' energy: -5.253 flat angles P-C4'-P energy: -2.851 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: 7 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -39.779389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.779389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.779389 (E_RNA) where: Base-Base interactions energy: -16.399 where: short stacking energy: -14.578 Base-Backbone interact. energy: -0.104 local terms energy: -23.277052 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -6.371 flat angles P-C4'-P energy: -3.390 tors. eta vs tors. theta energy: -0.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -36.530464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.530464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.530464 (E_RNA) where: Base-Base interactions energy: -13.201 where: short stacking energy: -13.201 Base-Backbone interact. energy: -0.000 local terms energy: -23.329641 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.409 flat angles P-C4'-P energy: -3.624 tors. eta vs tors. theta energy: -1.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -39.985148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.985148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.985148 (E_RNA) where: Base-Base interactions energy: -17.737 where: short stacking energy: -17.737 Base-Backbone interact. energy: -0.000 local terms energy: -22.247804 where: bonds (distance) C4'-P energy: -3.982 bonds (distance) P-C4' energy: -5.699 flat angles C4'-P-C4' energy: -5.960 flat angles P-C4'-P energy: -3.088 tors. eta vs tors. theta energy: -3.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -40.559253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.559253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.559253 (E_RNA) where: Base-Base interactions energy: -17.859 where: short stacking energy: -17.859 Base-Backbone interact. energy: -0.000 local terms energy: -22.699424 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -4.917 flat angles C4'-P-C4' energy: -5.255 flat angles P-C4'-P energy: -2.224 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: 8, replica: 10 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -32.975802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.975802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.975802 (E_RNA) where: Base-Base interactions energy: -9.987 where: short stacking energy: -9.796 Base-Backbone interact. energy: -0.016 local terms energy: -22.973095 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.359 flat angles P-C4'-P energy: -4.313 tors. eta vs tors. theta energy: -1.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -45.191981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.191981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.191981 (E_RNA) where: Base-Base interactions energy: -19.876 where: short stacking energy: -19.876 Base-Backbone interact. energy: -0.013 local terms energy: -25.303249 where: bonds (distance) C4'-P energy: -4.230 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.387 flat angles P-C4'-P energy: -4.233 tors. eta vs tors. theta energy: -5.807 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: 1 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -33.398111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.398111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.398111 (E_RNA) where: Base-Base interactions energy: -12.618 where: short stacking energy: -12.618 Base-Backbone interact. energy: -0.018 local terms energy: -20.761401 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -1.875 flat angles P-C4'-P energy: -3.173 tors. eta vs tors. theta energy: -3.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -55.844939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.844939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.844939 (E_RNA) where: Base-Base interactions energy: -24.579 where: short stacking energy: -24.579 Base-Backbone interact. energy: -0.000 local terms energy: -31.266014 where: bonds (distance) C4'-P energy: -5.096 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.412 flat angles P-C4'-P energy: -5.641 tors. eta vs tors. theta energy: -7.446 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: 8 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -50.251147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.251147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.251147 (E_RNA) where: Base-Base interactions energy: -23.476 where: short stacking energy: -23.476 Base-Backbone interact. energy: -0.000 local terms energy: -26.774969 where: bonds (distance) C4'-P energy: -5.277 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.759 flat angles P-C4'-P energy: -4.409 tors. eta vs tors. theta energy: -5.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -54.668642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.668642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.668642 (E_RNA) where: Base-Base interactions energy: -31.613 where: short stacking energy: -18.289 Base-Backbone interact. energy: -0.001 local terms energy: -23.054258 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.535 flat angles P-C4'-P energy: -1.979 tors. eta vs tors. theta energy: -3.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -43.864013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.864013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.864013 (E_RNA) where: Base-Base interactions energy: -19.429 where: short stacking energy: -19.429 Base-Backbone interact. energy: -0.000 local terms energy: -24.434814 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -5.891 flat angles P-C4'-P energy: -3.230 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: 5, replica: 7 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -44.244854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.244854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.244854 (E_RNA) where: Base-Base interactions energy: -17.616 where: short stacking energy: -17.616 Base-Backbone interact. energy: -0.004 local terms energy: -26.624573 where: bonds (distance) C4'-P energy: -4.430 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -5.973 flat angles P-C4'-P energy: -5.081 tors. eta vs tors. theta energy: -5.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -38.102554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.102554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.102554 (E_RNA) where: Base-Base interactions energy: -14.627 where: short stacking energy: -14.627 Base-Backbone interact. energy: -0.011 local terms energy: -23.465091 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -5.916 flat angles C4'-P-C4' energy: -4.356 flat angles P-C4'-P energy: -5.703 tors. eta vs tors. theta energy: -1.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -37.837707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.837707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.837707 (E_RNA) where: Base-Base interactions energy: -15.295 where: short stacking energy: -15.295 Base-Backbone interact. energy: -0.019 local terms energy: -22.523699 where: bonds (distance) C4'-P energy: -4.619 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -5.289 flat angles P-C4'-P energy: -3.355 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: 8, replica: 10 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -36.349155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.349155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.349155 (E_RNA) where: Base-Base interactions energy: -19.880 where: short stacking energy: -5.962 Base-Backbone interact. energy: 0.412 local terms energy: -16.881206 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -1.202 flat angles C4'-P-C4' energy: -6.795 flat angles P-C4'-P energy: -3.313 tors. eta vs tors. theta energy: 0.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -36.958206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.958206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.958206 (E_RNA) where: Base-Base interactions energy: -15.007 where: short stacking energy: -10.198 Base-Backbone interact. energy: 0.524 local terms energy: -22.475410 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -3.731 flat angles P-C4'-P energy: -5.474 tors. eta vs tors. theta energy: -2.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -39.190758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.190758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.190758 (E_RNA) where: Base-Base interactions energy: -14.699 where: short stacking energy: -14.699 Base-Backbone interact. energy: -0.000 local terms energy: -24.491782 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -4.546 flat angles P-C4'-P energy: -4.792 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: 1, replica: 8 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -49.758014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.758014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.758014 (E_RNA) where: Base-Base interactions energy: -25.575 where: short stacking energy: -16.192 Base-Backbone interact. energy: -0.012 local terms energy: -24.170500 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -6.279 flat angles P-C4'-P energy: -1.901 tors. eta vs tors. theta energy: -4.308 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: 4 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -46.566749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.566749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.566749 (E_RNA) where: Base-Base interactions energy: -23.958 where: short stacking energy: -19.853 Base-Backbone interact. energy: -0.008 local terms energy: -22.601264 where: bonds (distance) C4'-P energy: -4.308 bonds (distance) P-C4' energy: -5.469 flat angles C4'-P-C4' energy: -5.114 flat angles P-C4'-P energy: -4.190 tors. eta vs tors. theta energy: -3.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -40.691738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.691738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.691738 (E_RNA) where: Base-Base interactions energy: -16.666 where: short stacking energy: -16.666 Base-Backbone interact. energy: -0.000 local terms energy: -24.026003 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -5.150 flat angles C4'-P-C4' energy: -5.526 flat angles P-C4'-P energy: -3.938 tors. eta vs tors. theta energy: -3.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -38.641963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.641963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.641963 (E_RNA) where: Base-Base interactions energy: -15.308 where: short stacking energy: -15.308 Base-Backbone interact. energy: -0.047 local terms energy: -23.286802 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.274 flat angles P-C4'-P energy: -2.809 tors. eta vs tors. theta energy: -2.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -34.733412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.733412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.733412 (E_RNA) where: Base-Base interactions energy: -17.422 where: short stacking energy: -17.422 Base-Backbone interact. energy: 0.081 local terms energy: -17.392744 where: bonds (distance) C4'-P energy: -4.408 bonds (distance) P-C4' energy: -5.512 flat angles C4'-P-C4' energy: -3.499 flat angles P-C4'-P energy: -2.640 tors. eta vs tors. theta energy: -1.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -44.698754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.698754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.698754 (E_RNA) where: Base-Base interactions energy: -17.885 where: short stacking energy: -15.942 Base-Backbone interact. energy: -0.000 local terms energy: -26.814148 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.233 flat angles P-C4'-P energy: -3.817 tors. eta vs tors. theta energy: -5.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -34.243209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.243209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.243209 (E_RNA) where: Base-Base interactions energy: -13.334 where: short stacking energy: -13.334 Base-Backbone interact. energy: -0.000 local terms energy: -20.908977 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -3.219 flat angles P-C4'-P energy: -4.461 tors. eta vs tors. theta energy: -1.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -35.962558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.962558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.962558 (E_RNA) where: Base-Base interactions energy: -11.998 where: short stacking energy: -11.998 Base-Backbone interact. energy: -0.000 local terms energy: -23.964221 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -3.923 flat angles P-C4'-P energy: -4.821 tors. eta vs tors. theta energy: -2.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -37.170298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.170298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.170298 (E_RNA) where: Base-Base interactions energy: -16.894 where: short stacking energy: -16.894 Base-Backbone interact. energy: -0.000 local terms energy: -20.275886 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -5.150 flat angles C4'-P-C4' energy: -6.272 flat angles P-C4'-P energy: -0.744 tors. eta vs tors. theta energy: -3.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -33.504890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.504890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.504890 (E_RNA) where: Base-Base interactions energy: -14.154 where: short stacking energy: -14.154 Base-Backbone interact. energy: -0.018 local terms energy: -19.332954 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -5.233 flat angles P-C4'-P energy: -1.366 tors. eta vs tors. theta energy: -1.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -48.165889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.165889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.165889 (E_RNA) where: Base-Base interactions energy: -23.160 where: short stacking energy: -23.160 Base-Backbone interact. energy: -0.006 local terms energy: -25.000193 where: bonds (distance) C4'-P energy: -2.297 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -6.239 flat angles P-C4'-P energy: -5.294 tors. eta vs tors. theta energy: -5.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -45.734658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.734658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.734658 (E_RNA) where: Base-Base interactions energy: -21.332 where: short stacking energy: -11.028 Base-Backbone interact. energy: -0.000 local terms energy: -24.402285 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -6.568 flat angles P-C4'-P energy: -2.620 tors. eta vs tors. theta energy: -3.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -42.635476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.635476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.635476 (E_RNA) where: Base-Base interactions energy: -17.996 where: short stacking energy: -17.996 Base-Backbone interact. energy: -0.004 local terms energy: -24.635225 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -5.586 flat angles C4'-P-C4' energy: -3.679 flat angles P-C4'-P energy: -5.163 tors. eta vs tors. theta energy: -4.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -45.609880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.609880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.609880 (E_RNA) where: Base-Base interactions energy: -20.839 where: short stacking energy: -20.839 Base-Backbone interact. energy: -0.000 local terms energy: -24.770637 where: bonds (distance) C4'-P energy: -3.701 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -5.268 flat angles P-C4'-P energy: -3.611 tors. eta vs tors. theta energy: -5.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -40.314111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.314111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.314111 (E_RNA) where: Base-Base interactions energy: -17.357 where: short stacking energy: -17.357 Base-Backbone interact. energy: -0.001 local terms energy: -22.956746 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -2.641 flat angles C4'-P-C4' energy: -6.710 flat angles P-C4'-P energy: -2.989 tors. eta vs tors. theta energy: -4.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -42.455239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.455239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.455239 (E_RNA) where: Base-Base interactions energy: -18.756 where: short stacking energy: -18.756 Base-Backbone interact. energy: -0.000 local terms energy: -23.698763 where: bonds (distance) C4'-P energy: -4.126 bonds (distance) P-C4' energy: -5.181 flat angles C4'-P-C4' energy: -6.229 flat angles P-C4'-P energy: -4.537 tors. eta vs tors. theta energy: -3.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -35.586825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.586825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.586825 (E_RNA) where: Base-Base interactions energy: -14.442 where: short stacking energy: -14.442 Base-Backbone interact. energy: -0.000 local terms energy: -21.144675 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -2.420 flat angles P-C4'-P energy: -3.628 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: 8, replica: 1 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -32.825332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.825332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.825332 (E_RNA) where: Base-Base interactions energy: -12.386 where: short stacking energy: -5.317 Base-Backbone interact. energy: -0.013 local terms energy: -20.426711 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -5.048 flat angles C4'-P-C4' energy: -4.385 flat angles P-C4'-P energy: -4.582 tors. eta vs tors. theta energy: 0.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -40.458587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.458587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.458587 (E_RNA) where: Base-Base interactions energy: -20.219 where: short stacking energy: -17.591 Base-Backbone interact. energy: -0.001 local terms energy: -20.238759 where: bonds (distance) C4'-P energy: -2.454 bonds (distance) P-C4' energy: -4.423 flat angles C4'-P-C4' energy: -5.142 flat angles P-C4'-P energy: -3.675 tors. eta vs tors. theta energy: -4.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -29.348888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.348888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.348888 (E_RNA) where: Base-Base interactions energy: -10.112 where: short stacking energy: -10.112 Base-Backbone interact. energy: -0.024 local terms energy: -19.213355 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.194 flat angles P-C4'-P energy: -1.671 tors. eta vs tors. theta energy: 0.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -45.418739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.418739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.418739 (E_RNA) where: Base-Base interactions energy: -19.885 where: short stacking energy: -19.885 Base-Backbone interact. energy: -0.092 local terms energy: -25.441785 where: bonds (distance) C4'-P energy: -4.723 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.043 flat angles P-C4'-P energy: -3.339 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: 2, replica: 6 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -54.827404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.827404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.827404 (E_RNA) where: Base-Base interactions energy: -24.685 where: short stacking energy: -24.685 Base-Backbone interact. energy: -0.000 local terms energy: -30.141964 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.924 flat angles P-C4'-P energy: -4.835 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: 3, replica: 9 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -48.054325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.054325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.054325 (E_RNA) where: Base-Base interactions energy: -22.499 where: short stacking energy: -22.499 Base-Backbone interact. energy: -0.000 local terms energy: -25.554597 where: bonds (distance) C4'-P energy: -4.028 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.759 flat angles P-C4'-P energy: -5.166 tors. eta vs tors. theta energy: -5.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -35.670490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.670490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.670490 (E_RNA) where: Base-Base interactions energy: -12.175 where: short stacking energy: -12.175 Base-Backbone interact. energy: -0.053 local terms energy: -23.443150 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -5.886 flat angles C4'-P-C4' energy: -5.392 flat angles P-C4'-P energy: -3.956 tors. eta vs tors. theta energy: -3.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -41.781165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.781165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.781165 (E_RNA) where: Base-Base interactions energy: -16.235 where: short stacking energy: -16.235 Base-Backbone interact. energy: -0.000 local terms energy: -25.545737 where: bonds (distance) C4'-P energy: -3.725 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -6.416 flat angles P-C4'-P energy: -4.171 tors. eta vs tors. theta energy: -5.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -36.847288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.847288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.847288 (E_RNA) where: Base-Base interactions energy: -19.288 where: short stacking energy: -12.171 Base-Backbone interact. energy: -0.716 local terms energy: -16.843844 where: bonds (distance) C4'-P energy: -5.216 bonds (distance) P-C4' energy: -5.442 flat angles C4'-P-C4' energy: -5.264 flat angles P-C4'-P energy: 0.523 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: 7, replica: 7 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -38.112299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.112299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.112299 (E_RNA) where: Base-Base interactions energy: -14.506 where: short stacking energy: -14.506 Base-Backbone interact. energy: -0.000 local terms energy: -23.605799 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.902 flat angles P-C4'-P energy: -2.657 tors. eta vs tors. theta energy: -3.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -36.789123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.789123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.789123 (E_RNA) where: Base-Base interactions energy: -15.488 where: short stacking energy: -15.488 Base-Backbone interact. energy: -0.000 local terms energy: -21.301149 where: bonds (distance) C4'-P energy: -2.554 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -6.430 flat angles P-C4'-P energy: -1.458 tors. eta vs tors. theta energy: -5.258 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: 2 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -32.921604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.921604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.921604 (E_RNA) where: Base-Base interactions energy: -13.124 where: short stacking energy: -11.582 Base-Backbone interact. energy: -0.006 local terms energy: -19.791630 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -5.103 flat angles C4'-P-C4' energy: -4.511 flat angles P-C4'-P energy: -4.536 tors. eta vs tors. theta energy: -0.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -30.558437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.558437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.558437 (E_RNA) where: Base-Base interactions energy: -12.167 where: short stacking energy: -6.942 Base-Backbone interact. energy: 0.162 local terms energy: -18.553565 where: bonds (distance) C4'-P energy: -5.179 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -6.072 flat angles P-C4'-P energy: -0.614 tors. eta vs tors. theta energy: -0.489 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: 8 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -48.534166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.534166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.534166 (E_RNA) where: Base-Base interactions energy: -22.672 where: short stacking energy: -22.672 Base-Backbone interact. energy: -0.065 local terms energy: -25.797653 where: bonds (distance) C4'-P energy: -4.264 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.309 flat angles P-C4'-P energy: -5.419 tors. eta vs tors. theta energy: -4.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -45.200106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.200106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.200106 (E_RNA) where: Base-Base interactions energy: -18.860 where: short stacking energy: -18.860 Base-Backbone interact. energy: -0.000 local terms energy: -26.340417 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -6.049 flat angles P-C4'-P energy: -4.497 tors. eta vs tors. theta energy: -3.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -50.937914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.937914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.937914 (E_RNA) where: Base-Base interactions energy: -24.987 where: short stacking energy: -24.987 Base-Backbone interact. energy: -0.000 local terms energy: -25.951148 where: bonds (distance) C4'-P energy: -4.959 bonds (distance) P-C4' energy: -3.525 flat angles C4'-P-C4' energy: -6.329 flat angles P-C4'-P energy: -3.382 tors. eta vs tors. theta energy: -7.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -41.098396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.098396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.098396 (E_RNA) where: Base-Base interactions energy: -17.342 where: short stacking energy: -13.248 Base-Backbone interact. energy: -0.000 local terms energy: -23.756546 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -2.636 flat angles P-C4'-P energy: -2.797 tors. eta vs tors. theta energy: -5.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -43.660715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.660715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.660715 (E_RNA) where: Base-Base interactions energy: -20.477 where: short stacking energy: -20.477 Base-Backbone interact. energy: -0.000 local terms energy: -23.184183 where: bonds (distance) C4'-P energy: -6.362 bonds (distance) P-C4' energy: -2.716 flat angles C4'-P-C4' energy: -5.346 flat angles P-C4'-P energy: -4.599 tors. eta vs tors. theta energy: -4.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -37.412615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.412615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.412615 (E_RNA) where: Base-Base interactions energy: -14.084 where: short stacking energy: -13.453 Base-Backbone interact. energy: -0.023 local terms energy: -23.305261 where: bonds (distance) C4'-P energy: -4.339 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.270 flat angles P-C4'-P energy: -3.483 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: 7, replica: 5 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -41.970094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.970094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.970094 (E_RNA) where: Base-Base interactions energy: -15.890 where: short stacking energy: -15.890 Base-Backbone interact. energy: -0.000 local terms energy: -26.079893 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.947 flat angles P-C4'-P energy: -4.970 tors. eta vs tors. theta energy: -3.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -32.747363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.747363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.747363 (E_RNA) where: Base-Base interactions energy: -16.342 where: short stacking energy: -16.342 Base-Backbone interact. energy: -0.027 local terms energy: -16.378596 where: bonds (distance) C4'-P energy: -3.663 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -3.737 flat angles P-C4'-P energy: -1.562 tors. eta vs tors. theta energy: -2.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -31.522745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.522745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.522745 (E_RNA) where: Base-Base interactions energy: -10.562 where: short stacking energy: -9.817 Base-Backbone interact. energy: -0.462 local terms energy: -20.498758 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -5.150 flat angles C4'-P-C4' energy: -5.444 flat angles P-C4'-P energy: -3.214 tors. eta vs tors. theta energy: -1.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -31.144380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.144380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.144380 (E_RNA) where: Base-Base interactions energy: -13.734 where: short stacking energy: -13.734 Base-Backbone interact. energy: -0.013 local terms energy: -17.397257 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -1.798 flat angles P-C4'-P energy: -2.747 tors. eta vs tors. theta energy: -0.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -46.871754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.871754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.871754 (E_RNA) where: Base-Base interactions energy: -21.877 where: short stacking energy: -21.877 Base-Backbone interact. energy: -0.000 local terms energy: -24.994336 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -5.472 flat angles P-C4'-P energy: -3.459 tors. eta vs tors. theta energy: -4.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -44.803050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.803050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.803050 (E_RNA) where: Base-Base interactions energy: -20.651 where: short stacking energy: -20.651 Base-Backbone interact. energy: 0.160 local terms energy: -24.312063 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.132 flat angles P-C4'-P energy: -2.453 tors. eta vs tors. theta energy: -5.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -39.658000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.658000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.658000 (E_RNA) where: Base-Base interactions energy: -15.015 where: short stacking energy: -15.015 Base-Backbone interact. energy: -0.155 local terms energy: -24.487691 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.693 flat angles P-C4'-P energy: -3.383 tors. eta vs tors. theta energy: -3.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -50.395616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.395616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.395616 (E_RNA) where: Base-Base interactions energy: -22.211 where: short stacking energy: -22.211 Base-Backbone interact. energy: -0.000 local terms energy: -28.185046 where: bonds (distance) C4'-P energy: -6.263 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.514 flat angles P-C4'-P energy: -3.893 tors. eta vs tors. theta energy: -5.871 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: 5, replica: 10 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -36.213821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.213821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.213821 (E_RNA) where: Base-Base interactions energy: -15.659 where: short stacking energy: -15.659 Base-Backbone interact. energy: -0.075 local terms energy: -20.479872 where: bonds (distance) C4'-P energy: -4.632 bonds (distance) P-C4' energy: -5.864 flat angles C4'-P-C4' energy: -4.969 flat angles P-C4'-P energy: -1.789 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: 6, replica: 7 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -51.957439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.957439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.957439 (E_RNA) where: Base-Base interactions energy: -32.320 where: short stacking energy: -10.262 Base-Backbone interact. energy: -0.006 local terms energy: -19.631092 where: bonds (distance) C4'-P energy: -5.332 bonds (distance) P-C4' energy: -5.579 flat angles C4'-P-C4' energy: -5.350 flat angles P-C4'-P energy: -1.510 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: 7, replica: 2 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -34.945910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.945910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.945910 (E_RNA) where: Base-Base interactions energy: -12.593 where: short stacking energy: -12.593 Base-Backbone interact. energy: -0.010 local terms energy: -22.343374 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.459 flat angles P-C4'-P energy: -3.143 tors. eta vs tors. theta energy: -2.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -34.100841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.100841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.100841 (E_RNA) where: Base-Base interactions energy: -13.045 where: short stacking energy: -13.045 Base-Backbone interact. energy: -0.013 local terms energy: -21.042649 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -6.013 flat angles P-C4'-P energy: -3.178 tors. eta vs tors. theta energy: 0.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -35.988307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.988307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.988307 (E_RNA) where: Base-Base interactions energy: -12.201 where: short stacking energy: -12.201 Base-Backbone interact. energy: -0.007 local terms energy: -23.780300 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -5.445 flat angles C4'-P-C4' energy: -5.400 flat angles P-C4'-P energy: -3.925 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: 10, replica: 1 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -35.994890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.994890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.994890 (E_RNA) where: Base-Base interactions energy: -12.981 where: short stacking energy: -12.981 Base-Backbone interact. energy: -0.000 local terms energy: -23.013715 where: bonds (distance) C4'-P energy: -4.223 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.742 flat angles P-C4'-P energy: -2.342 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: 1, replica: 9 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -51.390982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.390982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.390982 (E_RNA) where: Base-Base interactions energy: -22.262 where: short stacking energy: -22.262 Base-Backbone interact. energy: -0.000 local terms energy: -29.128953 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -6.297 flat angles P-C4'-P energy: -4.113 tors. eta vs tors. theta energy: -6.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -46.196442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.196442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.196442 (E_RNA) where: Base-Base interactions energy: -19.636 where: short stacking energy: -19.636 Base-Backbone interact. energy: -0.000 local terms energy: -26.560555 where: bonds (distance) C4'-P energy: -6.031 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -2.737 flat angles P-C4'-P energy: -3.902 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: 3, replica: 8 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -35.307481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.307481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.307481 (E_RNA) where: Base-Base interactions energy: -10.918 where: short stacking energy: -10.918 Base-Backbone interact. energy: -0.001 local terms energy: -24.388787 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -5.733 flat angles P-C4'-P energy: -5.143 tors. eta vs tors. theta energy: -0.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -44.204795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.204795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.204795 (E_RNA) where: Base-Base interactions energy: -19.959 where: short stacking energy: -14.690 Base-Backbone interact. energy: -0.006 local terms energy: -24.240033 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.685 flat angles P-C4'-P energy: -2.672 tors. eta vs tors. theta energy: -2.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -37.015250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.015250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.015250 (E_RNA) where: Base-Base interactions energy: -14.683 where: short stacking energy: -11.207 Base-Backbone interact. energy: -0.002 local terms energy: -22.329546 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -4.948 flat angles P-C4'-P energy: -4.208 tors. eta vs tors. theta energy: -2.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -36.118853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.118853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.118853 (E_RNA) where: Base-Base interactions energy: -14.046 where: short stacking energy: -14.046 Base-Backbone interact. energy: -0.009 local terms energy: -22.064474 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -4.952 flat angles P-C4'-P energy: -2.884 tors. eta vs tors. theta energy: -1.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -29.400591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.400591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.400591 (E_RNA) where: Base-Base interactions energy: -8.323 where: short stacking energy: -8.323 Base-Backbone interact. energy: -0.100 local terms energy: -20.977311 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -4.392 flat angles P-C4'-P energy: -3.714 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: 8, replica: 3 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -40.967109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.967109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.967109 (E_RNA) where: Base-Base interactions energy: -16.199 where: short stacking energy: -16.199 Base-Backbone interact. energy: -0.000 local terms energy: -24.768358 where: bonds (distance) C4'-P energy: -4.508 bonds (distance) P-C4' energy: -5.426 flat angles C4'-P-C4' energy: -5.065 flat angles P-C4'-P energy: -3.687 tors. eta vs tors. theta energy: -6.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -29.637718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.637718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.637718 (E_RNA) where: Base-Base interactions energy: -10.415 where: short stacking energy: -10.415 Base-Backbone interact. energy: -0.001 local terms energy: -19.221342 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -4.557 flat angles C4'-P-C4' energy: -6.396 flat angles P-C4'-P energy: -2.099 tors. eta vs tors. theta energy: -0.536 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: 1 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -29.527613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.527613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.527613 (E_RNA) where: Base-Base interactions energy: -10.585 where: short stacking energy: -10.585 Base-Backbone interact. energy: -0.005 local terms energy: -18.937714 where: bonds (distance) C4'-P energy: -4.686 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -3.995 flat angles P-C4'-P energy: -4.200 tors. eta vs tors. theta energy: -0.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -53.122981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.122981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.122981 (E_RNA) where: Base-Base interactions energy: -24.710 where: short stacking energy: -24.710 Base-Backbone interact. energy: -0.000 local terms energy: -28.412630 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.006 flat angles P-C4'-P energy: -2.879 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: 2, replica: 9 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -46.993230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.993230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.993230 (E_RNA) where: Base-Base interactions energy: -19.328 where: short stacking energy: -15.666 Base-Backbone interact. energy: -0.079 local terms energy: -27.586233 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.355 flat angles C4'-P-C4' energy: -5.849 flat angles P-C4'-P energy: -5.023 tors. eta vs tors. theta energy: -4.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -46.797913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.797913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.797913 (E_RNA) where: Base-Base interactions energy: -22.674 where: short stacking energy: -22.674 Base-Backbone interact. energy: -0.000 local terms energy: -24.124035 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -6.197 flat angles P-C4'-P energy: -2.769 tors. eta vs tors. theta energy: -3.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -43.507194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.507194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.507194 (E_RNA) where: Base-Base interactions energy: -21.642 where: short stacking energy: -17.328 Base-Backbone interact. energy: -0.012 local terms energy: -21.852734 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -3.413 flat angles P-C4'-P energy: -5.245 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: 5, replica: 2 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -45.753096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.753096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.753096 (E_RNA) where: Base-Base interactions energy: -19.084 where: short stacking energy: -19.084 Base-Backbone interact. energy: -0.000 local terms energy: -26.669419 where: bonds (distance) C4'-P energy: -5.509 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -6.328 flat angles P-C4'-P energy: -2.685 tors. eta vs tors. theta energy: -5.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -37.337149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.337149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.337149 (E_RNA) where: Base-Base interactions energy: -14.823 where: short stacking energy: -11.558 Base-Backbone interact. energy: -0.001 local terms energy: -22.513737 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.428 flat angles P-C4'-P energy: -3.391 tors. eta vs tors. theta energy: -1.187 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: 3 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -37.257922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.257922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.257922 (E_RNA) where: Base-Base interactions energy: -14.516 where: short stacking energy: -13.558 Base-Backbone interact. energy: -0.120 local terms energy: -22.621151 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -6.216 flat angles P-C4'-P energy: -3.907 tors. eta vs tors. theta energy: -1.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -29.347914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.347914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.347914 (E_RNA) where: Base-Base interactions energy: -7.698 where: short stacking energy: -7.698 Base-Backbone interact. energy: -0.016 local terms energy: -21.634345 where: bonds (distance) C4'-P energy: -4.686 bonds (distance) P-C4' energy: -6.361 flat angles C4'-P-C4' energy: -5.708 flat angles P-C4'-P energy: -3.679 tors. eta vs tors. theta energy: -1.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -40.777724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.777724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.777724 (E_RNA) where: Base-Base interactions energy: -18.564 where: short stacking energy: -18.564 Base-Backbone interact. energy: -0.014 local terms energy: -22.199626 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -5.156 flat angles C4'-P-C4' energy: -4.389 flat angles P-C4'-P energy: -4.098 tors. eta vs tors. theta energy: -2.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -28.347860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.347860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.347860 (E_RNA) where: Base-Base interactions energy: -5.333 where: short stacking energy: -5.333 Base-Backbone interact. energy: -0.000 local terms energy: -23.015171 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -4.690 flat angles P-C4'-P energy: -2.261 tors. eta vs tors. theta energy: -4.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -48.411624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.411624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.411624 (E_RNA) where: Base-Base interactions energy: -20.923 where: short stacking energy: -20.923 Base-Backbone interact. energy: -0.000 local terms energy: -27.489018 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.184 flat angles P-C4'-P energy: -4.851 tors. eta vs tors. theta energy: -5.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -54.568389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.568389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.568389 (E_RNA) where: Base-Base interactions energy: -23.059 where: short stacking energy: -23.059 Base-Backbone interact. energy: -0.000 local terms energy: -31.509202 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -6.553 flat angles P-C4'-P energy: -5.617 tors. eta vs tors. theta energy: -7.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -45.310426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.310426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.310426 (E_RNA) where: Base-Base interactions energy: -20.840 where: short stacking energy: -20.840 Base-Backbone interact. energy: -0.000 local terms energy: -24.470231 where: bonds (distance) C4'-P energy: -4.098 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.183 flat angles P-C4'-P energy: -4.023 tors. eta vs tors. theta energy: -4.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -45.946287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.946287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.946287 (E_RNA) where: Base-Base interactions energy: -22.721 where: short stacking energy: -22.721 Base-Backbone interact. energy: -0.000 local terms energy: -23.225407 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -4.685 flat angles P-C4'-P energy: -3.890 tors. eta vs tors. theta energy: -3.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -41.578640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.578640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.578640 (E_RNA) where: Base-Base interactions energy: -18.101 where: short stacking energy: -18.101 Base-Backbone interact. energy: -0.000 local terms energy: -23.477339 where: bonds (distance) C4'-P energy: -5.055 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.607 flat angles P-C4'-P energy: -3.064 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: 6, replica: 3 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -40.606203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.606203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.606203 (E_RNA) where: Base-Base interactions energy: -21.077 where: short stacking energy: -11.529 Base-Backbone interact. energy: -0.001 local terms energy: -19.528703 where: bonds (distance) C4'-P energy: -4.639 bonds (distance) P-C4' energy: -5.103 flat angles C4'-P-C4' energy: -3.552 flat angles P-C4'-P energy: -4.874 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: 7, replica: 6 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -40.784358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.784358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.784358 (E_RNA) where: Base-Base interactions energy: -15.258 where: short stacking energy: -15.258 Base-Backbone interact. energy: -0.000 local terms energy: -25.526713 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.436 flat angles P-C4'-P energy: -2.928 tors. eta vs tors. theta energy: -4.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -40.031882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.031882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.031882 (E_RNA) where: Base-Base interactions energy: -15.549 where: short stacking energy: -15.549 Base-Backbone interact. energy: -0.026 local terms energy: -24.456952 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -5.955 flat angles P-C4'-P energy: -5.603 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: 7 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -33.199324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.199324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.199324 (E_RNA) where: Base-Base interactions energy: -12.600 where: short stacking energy: -12.600 Base-Backbone interact. energy: -0.024 local terms energy: -20.575968 where: bonds (distance) C4'-P energy: -5.153 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -5.716 flat angles P-C4'-P energy: -2.540 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: 10, replica: 5 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -37.950647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.950647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.950647 (E_RNA) where: Base-Base interactions energy: -15.248 where: short stacking energy: -15.248 Base-Backbone interact. energy: -0.000 local terms energy: -22.702231 where: bonds (distance) C4'-P energy: -3.522 bonds (distance) P-C4' energy: -6.358 flat angles C4'-P-C4' energy: -4.880 flat angles P-C4'-P energy: -3.938 tors. eta vs tors. theta energy: -4.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -48.385690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.385690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.385690 (E_RNA) where: Base-Base interactions energy: -25.197 where: short stacking energy: -16.255 Base-Backbone interact. energy: -0.000 local terms energy: -23.187896 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.596 flat angles P-C4'-P energy: -4.628 tors. eta vs tors. theta energy: -2.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -47.962350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.962350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.962350 (E_RNA) where: Base-Base interactions energy: -24.798 where: short stacking energy: -11.860 Base-Backbone interact. energy: -0.079 local terms energy: -23.085823 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -5.624 flat angles P-C4'-P energy: -3.856 tors. eta vs tors. theta energy: -2.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -46.722606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.722606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.722606 (E_RNA) where: Base-Base interactions energy: -20.594 where: short stacking energy: -20.594 Base-Backbone interact. energy: -0.000 local terms energy: -26.128690 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.280 flat angles P-C4'-P energy: -2.578 tors. eta vs tors. theta energy: -5.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -48.311013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.311013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.311013 (E_RNA) where: Base-Base interactions energy: -25.446 where: short stacking energy: -25.446 Base-Backbone interact. energy: -0.000 local terms energy: -22.865277 where: bonds (distance) C4'-P energy: -3.601 bonds (distance) P-C4' energy: -3.582 flat angles C4'-P-C4' energy: -5.817 flat angles P-C4'-P energy: -3.973 tors. eta vs tors. theta energy: -5.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -46.427270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.427270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.427270 (E_RNA) where: Base-Base interactions energy: -22.459 where: short stacking energy: -22.459 Base-Backbone interact. energy: -0.000 local terms energy: -23.968443 where: bonds (distance) C4'-P energy: -2.674 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -5.749 flat angles P-C4'-P energy: -4.509 tors. eta vs tors. theta energy: -4.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -35.481012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.481012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.481012 (E_RNA) where: Base-Base interactions energy: -16.331 where: short stacking energy: -12.140 Base-Backbone interact. energy: -0.010 local terms energy: -19.139963 where: bonds (distance) C4'-P energy: -4.238 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.073 flat angles P-C4'-P energy: -2.327 tors. eta vs tors. theta energy: -1.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -37.609179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.609179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.609179 (E_RNA) where: Base-Base interactions energy: -11.859 where: short stacking energy: -11.859 Base-Backbone interact. energy: -0.000 local terms energy: -25.750512 where: bonds (distance) C4'-P energy: -3.845 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.243 flat angles P-C4'-P energy: -4.549 tors. eta vs tors. theta energy: -4.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -35.020426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.020426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.020426 (E_RNA) where: Base-Base interactions energy: -12.544 where: short stacking energy: -12.544 Base-Backbone interact. energy: -0.031 local terms energy: -22.444818 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -3.490 flat angles C4'-P-C4' energy: -4.496 flat angles P-C4'-P energy: -4.693 tors. eta vs tors. theta energy: -3.722 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: 9, replica: 5 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -38.028589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.028589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.028589 (E_RNA) where: Base-Base interactions energy: -15.131 where: short stacking energy: -15.131 Base-Backbone interact. energy: -0.000 local terms energy: -22.896906 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -5.134 flat angles P-C4'-P energy: -3.783 tors. eta vs tors. theta energy: -2.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -40.312902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.312902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.312902 (E_RNA) where: Base-Base interactions energy: -17.892 where: short stacking energy: -17.892 Base-Backbone interact. energy: -0.014 local terms energy: -22.407455 where: bonds (distance) C4'-P energy: -4.380 bonds (distance) P-C4' energy: -4.463 flat angles C4'-P-C4' energy: -5.705 flat angles P-C4'-P energy: -3.625 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: 1, replica: 10 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -41.651705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.651705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.651705 (E_RNA) where: Base-Base interactions energy: -16.417 where: short stacking energy: -16.417 Base-Backbone interact. energy: -0.000 local terms energy: -25.234719 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -4.581 flat angles P-C4'-P energy: -5.118 tors. eta vs tors. theta energy: -2.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -47.754461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.754461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.754461 (E_RNA) where: Base-Base interactions energy: -19.616 where: short stacking energy: -19.616 Base-Backbone interact. energy: -0.000 local terms energy: -28.138093 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -5.350 flat angles P-C4'-P energy: -5.382 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: 3, replica: 4 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -44.373953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.373953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.373953 (E_RNA) where: Base-Base interactions energy: -18.378 where: short stacking energy: -18.378 Base-Backbone interact. energy: -0.000 local terms energy: -25.995697 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.125 flat angles P-C4'-P energy: -4.678 tors. eta vs tors. theta energy: -5.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -44.865428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.865428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.865428 (E_RNA) where: Base-Base interactions energy: -20.713 where: short stacking energy: -20.713 Base-Backbone interact. energy: -0.000 local terms energy: -24.152010 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.837 flat angles C4'-P-C4' energy: -4.606 flat angles P-C4'-P energy: -2.913 tors. eta vs tors. theta energy: -4.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -37.639317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.639317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.639317 (E_RNA) where: Base-Base interactions energy: -17.374 where: short stacking energy: -17.374 Base-Backbone interact. energy: 0.624 local terms energy: -20.888917 where: bonds (distance) C4'-P energy: -3.797 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -3.049 flat angles P-C4'-P energy: -3.838 tors. eta vs tors. theta energy: -3.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -36.740446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.740446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.740446 (E_RNA) where: Base-Base interactions energy: -15.274 where: short stacking energy: -12.076 Base-Backbone interact. energy: -0.596 local terms energy: -20.870015 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -3.502 flat angles C4'-P-C4' energy: -3.995 flat angles P-C4'-P energy: -4.557 tors. eta vs tors. theta energy: -2.819 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: 8 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -36.144320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.144320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.144320 (E_RNA) where: Base-Base interactions energy: -13.466 where: short stacking energy: -13.466 Base-Backbone interact. energy: -0.000 local terms energy: -22.678360 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.522 flat angles P-C4'-P energy: -3.754 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: 8, replica: 5 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -42.458305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.458305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.458305 (E_RNA) where: Base-Base interactions energy: -16.809 where: short stacking energy: -16.809 Base-Backbone interact. energy: -0.000 local terms energy: -25.649382 where: bonds (distance) C4'-P energy: -4.686 bonds (distance) P-C4' energy: -6.149 flat angles C4'-P-C4' energy: -3.921 flat angles P-C4'-P energy: -5.029 tors. eta vs tors. theta energy: -5.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -35.756216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.756216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.756216 (E_RNA) where: Base-Base interactions energy: -13.335 where: short stacking energy: -13.335 Base-Backbone interact. energy: -0.000 local terms energy: -22.421234 where: bonds (distance) C4'-P energy: -4.230 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.994 flat angles P-C4'-P energy: -3.890 tors. eta vs tors. theta energy: -3.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -32.384310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.384310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.384310 (E_RNA) where: Base-Base interactions energy: -10.129 where: short stacking energy: -10.129 Base-Backbone interact. energy: -0.000 local terms energy: -22.254798 where: bonds (distance) C4'-P energy: -3.505 bonds (distance) P-C4' energy: -6.100 flat angles C4'-P-C4' energy: -5.707 flat angles P-C4'-P energy: -2.872 tors. eta vs tors. theta energy: -4.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -46.419466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.419466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.419466 (E_RNA) where: Base-Base interactions energy: -21.818 where: short stacking energy: -11.053 Base-Backbone interact. energy: -0.056 local terms energy: -24.544913 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.596 flat angles P-C4'-P energy: -4.151 tors. eta vs tors. theta energy: -2.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -46.144925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.144925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.144925 (E_RNA) where: Base-Base interactions energy: -27.020 where: short stacking energy: -16.668 Base-Backbone interact. energy: -0.000 local terms energy: -19.125044 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.410 flat angles C4'-P-C4' energy: -1.412 flat angles P-C4'-P energy: -4.749 tors. eta vs tors. theta energy: -1.725 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: 3, replica: 4 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -49.675354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.675354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.675354 (E_RNA) where: Base-Base interactions energy: -23.502 where: short stacking energy: -23.502 Base-Backbone interact. energy: -0.000 local terms energy: -26.172887 where: bonds (distance) C4'-P energy: -5.133 bonds (distance) P-C4' energy: -5.377 flat angles C4'-P-C4' energy: -5.364 flat angles P-C4'-P energy: -3.761 tors. eta vs tors. theta energy: -6.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -44.311171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.311171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.311171 (E_RNA) where: Base-Base interactions energy: -20.900 where: short stacking energy: -20.900 Base-Backbone interact. energy: -0.000 local terms energy: -23.411264 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -5.886 flat angles C4'-P-C4' energy: -4.742 flat angles P-C4'-P energy: -3.876 tors. eta vs tors. theta energy: -3.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -40.916691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.916691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.916691 (E_RNA) where: Base-Base interactions energy: -18.445 where: short stacking energy: -15.895 Base-Backbone interact. energy: -0.021 local terms energy: -22.450390 where: bonds (distance) C4'-P energy: -3.133 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -6.225 flat angles P-C4'-P energy: -3.074 tors. eta vs tors. theta energy: -3.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -34.845836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.845836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.845836 (E_RNA) where: Base-Base interactions energy: -18.172 where: short stacking energy: -8.309 Base-Backbone interact. energy: -0.061 local terms energy: -16.612762 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -3.691 flat angles P-C4'-P energy: -1.138 tors. eta vs tors. theta energy: 0.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -41.313822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.313822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.313822 (E_RNA) where: Base-Base interactions energy: -19.841 where: short stacking energy: -19.841 Base-Backbone interact. energy: -0.000 local terms energy: -21.472476 where: bonds (distance) C4'-P energy: -4.752 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.442 flat angles P-C4'-P energy: -1.238 tors. eta vs tors. theta energy: -3.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -35.277619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.277619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.277619 (E_RNA) where: Base-Base interactions energy: -12.393 where: short stacking energy: -10.145 Base-Backbone interact. energy: -0.016 local terms energy: -22.868896 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -5.327 flat angles C4'-P-C4' energy: -5.231 flat angles P-C4'-P energy: -4.723 tors. eta vs tors. theta energy: -2.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -31.350088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.350088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.350088 (E_RNA) where: Base-Base interactions energy: -10.000 where: short stacking energy: -10.000 Base-Backbone interact. energy: -0.078 local terms energy: -21.271717 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.606 flat angles P-C4'-P energy: -2.704 tors. eta vs tors. theta energy: -1.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -34.374026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.374026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.374026 (E_RNA) where: Base-Base interactions energy: -15.542 where: short stacking energy: -15.542 Base-Backbone interact. energy: -0.000 local terms energy: -18.831815 where: bonds (distance) C4'-P energy: -4.639 bonds (distance) P-C4' energy: -4.036 flat angles C4'-P-C4' energy: -3.014 flat angles P-C4'-P energy: -2.296 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: 1, replica: 2 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -47.864750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.864750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.864750 (E_RNA) where: Base-Base interactions energy: -21.818 where: short stacking energy: -21.818 Base-Backbone interact. energy: -0.000 local terms energy: -26.046847 where: bonds (distance) C4'-P energy: -6.569 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -4.580 flat angles P-C4'-P energy: -3.215 tors. eta vs tors. theta energy: -6.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -46.599761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.599761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.599761 (E_RNA) where: Base-Base interactions energy: -23.075 where: short stacking energy: -11.535 Base-Backbone interact. energy: -0.004 local terms energy: -23.520635 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -4.947 flat angles P-C4'-P energy: -3.587 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: 3, replica: 10 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -50.965380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.965380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.965380 (E_RNA) where: Base-Base interactions energy: -30.180 where: short stacking energy: -16.573 Base-Backbone interact. energy: -0.002 local terms energy: -20.783357 where: bonds (distance) C4'-P energy: -3.311 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.533 flat angles P-C4'-P energy: -2.861 tors. eta vs tors. theta energy: -2.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -41.689267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.689267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.689267 (E_RNA) where: Base-Base interactions energy: -18.035 where: short stacking energy: -18.035 Base-Backbone interact. energy: -0.000 local terms energy: -23.654701 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -4.655 flat angles P-C4'-P energy: -4.393 tors. eta vs tors. theta energy: -3.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -40.474511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.474511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.474511 (E_RNA) where: Base-Base interactions energy: -17.586 where: short stacking energy: -17.586 Base-Backbone interact. energy: -0.042 local terms energy: -22.847103 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -4.162 flat angles P-C4'-P energy: -4.566 tors. eta vs tors. theta energy: -2.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -39.174088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.174088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.174088 (E_RNA) where: Base-Base interactions energy: -18.363 where: short stacking energy: -8.518 Base-Backbone interact. energy: -0.014 local terms energy: -20.797172 where: bonds (distance) C4'-P energy: -4.210 bonds (distance) P-C4' energy: -5.104 flat angles C4'-P-C4' energy: -5.751 flat angles P-C4'-P energy: -3.804 tors. eta vs tors. theta energy: -1.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -35.757490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.757490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.757490 (E_RNA) where: Base-Base interactions energy: -12.520 where: short stacking energy: -12.520 Base-Backbone interact. energy: -0.005 local terms energy: -23.232494 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -5.459 flat angles P-C4'-P energy: -2.568 tors. eta vs tors. theta energy: -3.723 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: 323 Temperature: 1.250000 Total energy: -33.625127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.625127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.625127 (E_RNA) where: Base-Base interactions energy: -11.537 where: short stacking energy: -11.537 Base-Backbone interact. energy: -0.006 local terms energy: -22.081869 where: bonds (distance) C4'-P energy: -5.287 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -3.716 flat angles P-C4'-P energy: -4.708 tors. eta vs tors. theta energy: -1.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -35.615159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.615159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.615159 (E_RNA) where: Base-Base interactions energy: -17.354 where: short stacking energy: -9.689 Base-Backbone interact. energy: -0.034 local terms energy: -18.227146 where: bonds (distance) C4'-P energy: -2.057 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.147 flat angles P-C4'-P energy: -2.320 tors. eta vs tors. theta energy: -2.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -32.624608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.624608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.624608 (E_RNA) where: Base-Base interactions energy: -17.961 where: short stacking energy: -6.108 Base-Backbone interact. energy: -0.017 local terms energy: -14.646835 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.439 flat angles P-C4'-P energy: 0.390 tors. eta vs tors. theta energy: 2.786 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: 324 Temperature: 0.900000 Total energy: -51.780323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.780323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.780323 (E_RNA) where: Base-Base interactions energy: -24.858 where: short stacking energy: -24.858 Base-Backbone interact. energy: -0.000 local terms energy: -26.922007 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -5.480 flat angles P-C4'-P energy: -3.831 tors. eta vs tors. theta energy: -6.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -45.724911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.724911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.724911 (E_RNA) where: Base-Base interactions energy: -18.457 where: short stacking energy: -18.457 Base-Backbone interact. energy: -0.000 local terms energy: -27.268333 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -5.181 flat angles C4'-P-C4' energy: -6.202 flat angles P-C4'-P energy: -4.319 tors. eta vs tors. theta energy: -5.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -48.497837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.497837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.497837 (E_RNA) where: Base-Base interactions energy: -21.704 where: short stacking energy: -21.704 Base-Backbone interact. energy: -0.000 local terms energy: -26.793810 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.615 flat angles P-C4'-P energy: -4.977 tors. eta vs tors. theta energy: -3.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -44.740671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.740671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.740671 (E_RNA) where: Base-Base interactions energy: -23.590 where: short stacking energy: -9.866 Base-Backbone interact. energy: -0.054 local terms energy: -21.095986 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -3.408 flat angles P-C4'-P energy: -4.947 tors. eta vs tors. theta energy: 0.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -43.217683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.217683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.217683 (E_RNA) where: Base-Base interactions energy: -16.468 where: short stacking energy: -16.468 Base-Backbone interact. energy: -0.000 local terms energy: -26.749084 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.153 flat angles C4'-P-C4' energy: -6.061 flat angles P-C4'-P energy: -4.113 tors. eta vs tors. theta energy: -5.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -38.130832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.130832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.130832 (E_RNA) where: Base-Base interactions energy: -10.711 where: short stacking energy: -10.711 Base-Backbone interact. energy: -0.000 local terms energy: -27.419912 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -4.280 flat angles P-C4'-P energy: -4.288 tors. eta vs tors. theta energy: -5.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -38.271739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.271739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.271739 (E_RNA) where: Base-Base interactions energy: -14.203 where: short stacking energy: -14.203 Base-Backbone interact. energy: -0.000 local terms energy: -24.068352 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -4.199 flat angles C4'-P-C4' energy: -6.448 flat angles P-C4'-P energy: -4.735 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: 8, replica: 9 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -31.025663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.025663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.025663 (E_RNA) where: Base-Base interactions energy: -8.544 where: short stacking energy: -8.544 Base-Backbone interact. energy: -0.002 local terms energy: -22.478792 where: bonds (distance) C4'-P energy: -4.206 bonds (distance) P-C4' energy: -5.441 flat angles C4'-P-C4' energy: -6.201 flat angles P-C4'-P energy: -4.638 tors. eta vs tors. theta energy: -1.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -39.519203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.519203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.519203 (E_RNA) where: Base-Base interactions energy: -12.831 where: short stacking energy: -12.831 Base-Backbone interact. energy: -0.004 local terms energy: -26.684343 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.362 flat angles P-C4'-P energy: -5.219 tors. eta vs tors. theta energy: -3.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -33.090302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.090302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.090302 (E_RNA) where: Base-Base interactions energy: -10.942 where: short stacking energy: -10.942 Base-Backbone interact. energy: -0.000 local terms energy: -22.148121 where: bonds (distance) C4'-P energy: -3.684 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.099 flat angles P-C4'-P energy: -3.256 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: 1, replica: 4 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -49.480010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.480010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.480010 (E_RNA) where: Base-Base interactions energy: -22.398 where: short stacking energy: -22.398 Base-Backbone interact. energy: -0.000 local terms energy: -27.081561 where: bonds (distance) C4'-P energy: -3.982 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.882 flat angles P-C4'-P energy: -5.287 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: 2, replica: 1 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -53.877622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.877622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.877622 (E_RNA) where: Base-Base interactions energy: -25.584 where: short stacking energy: -25.584 Base-Backbone interact. energy: -0.000 local terms energy: -28.293114 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -5.299 flat angles P-C4'-P energy: -3.936 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: 3, replica: 2 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -43.816228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.816228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.816228 (E_RNA) where: Base-Base interactions energy: -19.566 where: short stacking energy: -19.566 Base-Backbone interact. energy: -0.042 local terms energy: -24.208009 where: bonds (distance) C4'-P energy: -4.690 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.905 flat angles P-C4'-P energy: -4.863 tors. eta vs tors. theta energy: -2.336 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: 5 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -50.139515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.139515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.139515 (E_RNA) where: Base-Base interactions energy: -24.129 where: short stacking energy: -24.129 Base-Backbone interact. energy: -0.000 local terms energy: -26.010588 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -4.677 flat angles C4'-P-C4' energy: -4.827 flat angles P-C4'-P energy: -3.284 tors. eta vs tors. theta energy: -7.402 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: 10 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -39.508932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.508932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.508932 (E_RNA) where: Base-Base interactions energy: -16.176 where: short stacking energy: -16.176 Base-Backbone interact. energy: -0.000 local terms energy: -23.332799 where: bonds (distance) C4'-P energy: -4.293 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -4.791 flat angles P-C4'-P energy: -4.347 tors. eta vs tors. theta energy: -3.706 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: 8 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -35.892676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.892676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.892676 (E_RNA) where: Base-Base interactions energy: -18.316 where: short stacking energy: -9.052 Base-Backbone interact. energy: -0.034 local terms energy: -17.543156 where: bonds (distance) C4'-P energy: -3.680 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -5.134 flat angles P-C4'-P energy: -4.088 tors. eta vs tors. theta energy: 0.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -32.063263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.063263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.063263 (E_RNA) where: Base-Base interactions energy: -13.720 where: short stacking energy: -13.720 Base-Backbone interact. energy: -0.000 local terms energy: -18.343201 where: bonds (distance) C4'-P energy: -3.866 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -3.380 flat angles P-C4'-P energy: -2.016 tors. eta vs tors. theta energy: -3.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -36.444728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.444728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.444728 (E_RNA) where: Base-Base interactions energy: -16.006 where: short stacking energy: -16.006 Base-Backbone interact. energy: -0.000 local terms energy: -20.438927 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -4.054 flat angles P-C4'-P energy: 0.309 tors. eta vs tors. theta energy: -3.582 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: 325 Temperature: 1.300000 Total energy: -34.521603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.521603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.521603 (E_RNA) where: Base-Base interactions energy: -12.884 where: short stacking energy: -12.884 Base-Backbone interact. energy: -0.042 local terms energy: -21.595674 where: bonds (distance) C4'-P energy: -4.959 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -2.358 flat angles P-C4'-P energy: -4.489 tors. eta vs tors. theta energy: -3.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -34.573332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.573332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.573332 (E_RNA) where: Base-Base interactions energy: -13.891 where: short stacking energy: -13.891 Base-Backbone interact. energy: -0.000 local terms energy: -20.682003 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -3.473 flat angles C4'-P-C4' energy: -5.013 flat angles P-C4'-P energy: -2.085 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: 1 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -49.211125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.211125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.211125 (E_RNA) where: Base-Base interactions energy: -23.346 where: short stacking energy: -23.346 Base-Backbone interact. energy: -0.000 local terms energy: -25.865054 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.506 flat angles C4'-P-C4' energy: -4.985 flat angles P-C4'-P energy: -3.880 tors. eta vs tors. theta energy: -5.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -49.214303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.214303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.214303 (E_RNA) where: Base-Base interactions energy: -20.681 where: short stacking energy: -20.681 Base-Backbone interact. energy: -0.000 local terms energy: -28.533606 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -5.187 flat angles C4'-P-C4' energy: -6.186 flat angles P-C4'-P energy: -5.760 tors. eta vs tors. theta energy: -5.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -41.994852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.994852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.994852 (E_RNA) where: Base-Base interactions energy: -18.017 where: short stacking energy: -18.017 Base-Backbone interact. energy: -0.081 local terms energy: -23.896388 where: bonds (distance) C4'-P energy: -4.115 bonds (distance) P-C4' energy: -5.705 flat angles C4'-P-C4' energy: -6.064 flat angles P-C4'-P energy: -3.889 tors. eta vs tors. theta energy: -4.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -37.923702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.923702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.923702 (E_RNA) where: Base-Base interactions energy: -13.455 where: short stacking energy: -13.455 Base-Backbone interact. energy: -0.001 local terms energy: -24.467418 where: bonds (distance) C4'-P energy: -4.699 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.238 flat angles P-C4'-P energy: -5.019 tors. eta vs tors. theta energy: -1.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -43.938261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.938261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.938261 (E_RNA) where: Base-Base interactions energy: -17.870 where: short stacking energy: -17.870 Base-Backbone interact. energy: -0.000 local terms energy: -26.068391 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.186 flat angles P-C4'-P energy: -3.688 tors. eta vs tors. theta energy: -4.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -38.616502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.616502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.616502 (E_RNA) where: Base-Base interactions energy: -15.471 where: short stacking energy: -15.471 Base-Backbone interact. energy: -0.013 local terms energy: -23.132482 where: bonds (distance) C4'-P energy: -4.487 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -4.634 flat angles P-C4'-P energy: -4.013 tors. eta vs tors. theta energy: -3.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -40.938335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.938335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.938335 (E_RNA) where: Base-Base interactions energy: -17.308 where: short stacking energy: -17.308 Base-Backbone interact. energy: -0.089 local terms energy: -23.541864 where: bonds (distance) C4'-P energy: -4.098 bonds (distance) P-C4' energy: -4.165 flat angles C4'-P-C4' energy: -5.088 flat angles P-C4'-P energy: -4.678 tors. eta vs tors. theta energy: -5.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -33.131757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.131757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.131757 (E_RNA) where: Base-Base interactions energy: -15.354 where: short stacking energy: -6.726 Base-Backbone interact. energy: -0.038 local terms energy: -17.739895 where: bonds (distance) C4'-P energy: -4.089 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -6.108 flat angles P-C4'-P energy: -3.976 tors. eta vs tors. theta energy: 2.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -28.060044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.060044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.060044 (E_RNA) where: Base-Base interactions energy: -9.254 where: short stacking energy: -4.622 Base-Backbone interact. energy: -0.094 local terms energy: -18.711317 where: bonds (distance) C4'-P energy: -5.597 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -4.850 flat angles P-C4'-P energy: -3.959 tors. eta vs tors. theta energy: 1.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -31.474914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.474914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.474914 (E_RNA) where: Base-Base interactions energy: -11.013 where: short stacking energy: -11.013 Base-Backbone interact. energy: -0.055 local terms energy: -20.406977 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -5.905 flat angles P-C4'-P energy: -4.068 tors. eta vs tors. theta energy: 0.914 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: 1 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -53.039329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.039329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.039329 (E_RNA) where: Base-Base interactions energy: -25.204 where: short stacking energy: -25.204 Base-Backbone interact. energy: -0.000 local terms energy: -27.835534 where: bonds (distance) C4'-P energy: -4.807 bonds (distance) P-C4' energy: -5.071 flat angles C4'-P-C4' energy: -5.956 flat angles P-C4'-P energy: -4.157 tors. eta vs tors. theta energy: -7.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -47.467641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.467641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.467641 (E_RNA) where: Base-Base interactions energy: -21.951 where: short stacking energy: -21.951 Base-Backbone interact. energy: -0.000 local terms energy: -25.516138 where: bonds (distance) C4'-P energy: -5.287 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.859 flat angles P-C4'-P energy: -5.071 tors. eta vs tors. theta energy: -3.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -39.936497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.936497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.936497 (E_RNA) where: Base-Base interactions energy: -16.864 where: short stacking energy: -16.864 Base-Backbone interact. energy: -0.006 local terms energy: -23.066223 where: bonds (distance) C4'-P energy: -3.902 bonds (distance) P-C4' energy: -6.104 flat angles C4'-P-C4' energy: -5.964 flat angles P-C4'-P energy: -3.206 tors. eta vs tors. theta energy: -3.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -47.085012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.085012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.085012 (E_RNA) where: Base-Base interactions energy: -23.038 where: short stacking energy: -23.038 Base-Backbone interact. energy: -0.007 local terms energy: -24.040424 where: bonds (distance) C4'-P energy: -5.953 bonds (distance) P-C4' energy: -4.526 flat angles C4'-P-C4' energy: -5.926 flat angles P-C4'-P energy: -3.349 tors. eta vs tors. theta energy: -4.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -34.678524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.678524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.678524 (E_RNA) where: Base-Base interactions energy: -13.534 where: short stacking energy: -13.534 Base-Backbone interact. energy: -0.002 local terms energy: -21.142873 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -4.440 flat angles P-C4'-P energy: -4.895 tors. eta vs tors. theta energy: -0.914 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: 6, replica: 6 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -42.420453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.420453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.420453 (E_RNA) where: Base-Base interactions energy: -17.089 where: short stacking energy: -17.089 Base-Backbone interact. energy: -0.002 local terms energy: -25.328678 where: bonds (distance) C4'-P energy: -4.872 bonds (distance) P-C4' energy: -5.941 flat angles C4'-P-C4' energy: -6.237 flat angles P-C4'-P energy: -4.631 tors. eta vs tors. theta energy: -3.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -35.078745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.078745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.078745 (E_RNA) where: Base-Base interactions energy: -14.199 where: short stacking energy: -14.199 Base-Backbone interact. energy: -0.001 local terms energy: -20.878928 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -3.337 flat angles P-C4'-P energy: -3.868 tors. eta vs tors. theta energy: -1.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -38.012720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.012720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.012720 (E_RNA) where: Base-Base interactions energy: -16.539 where: short stacking energy: -16.539 Base-Backbone interact. energy: -0.000 local terms energy: -21.473453 where: bonds (distance) C4'-P energy: -3.087 bonds (distance) P-C4' energy: -4.948 flat angles C4'-P-C4' energy: -5.541 flat angles P-C4'-P energy: -3.950 tors. eta vs tors. theta energy: -3.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -33.876338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.876338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.876338 (E_RNA) where: Base-Base interactions energy: -10.980 where: short stacking energy: -10.980 Base-Backbone interact. energy: -0.007 local terms energy: -22.888639 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -5.160 flat angles C4'-P-C4' energy: -6.222 flat angles P-C4'-P energy: -4.075 tors. eta vs tors. theta energy: -2.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -32.252795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.252795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.252795 (E_RNA) where: Base-Base interactions energy: -13.845 where: short stacking energy: -13.845 Base-Backbone interact. energy: -0.053 local terms energy: -18.355296 where: bonds (distance) C4'-P energy: -4.380 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -4.344 flat angles P-C4'-P energy: -1.730 tors. eta vs tors. theta energy: -2.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -54.980801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.980801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.980801 (E_RNA) where: Base-Base interactions energy: -25.074 where: short stacking energy: -25.074 Base-Backbone interact. energy: -0.000 local terms energy: -29.906856 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.533 flat angles P-C4'-P energy: -3.666 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: 2, replica: 1 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -51.550080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.550080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.550080 (E_RNA) where: Base-Base interactions energy: -21.369 where: short stacking energy: -21.369 Base-Backbone interact. energy: -0.000 local terms energy: -30.180691 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.607 flat angles P-C4'-P energy: -5.286 tors. eta vs tors. theta energy: -7.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -44.922545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.922545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.922545 (E_RNA) where: Base-Base interactions energy: -22.687 where: short stacking energy: -16.592 Base-Backbone interact. energy: -0.005 local terms energy: -22.230211 where: bonds (distance) C4'-P energy: -4.541 bonds (distance) P-C4' energy: -5.085 flat angles C4'-P-C4' energy: -2.971 flat angles P-C4'-P energy: -3.589 tors. eta vs tors. theta energy: -6.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -50.012200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.012200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.012200 (E_RNA) where: Base-Base interactions energy: -23.608 where: short stacking energy: -23.608 Base-Backbone interact. energy: -0.000 local terms energy: -26.404174 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -5.160 flat angles P-C4'-P energy: -3.063 tors. eta vs tors. theta energy: -6.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -37.807360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.807360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.807360 (E_RNA) where: Base-Base interactions energy: -14.450 where: short stacking energy: -14.450 Base-Backbone interact. energy: -0.003 local terms energy: -23.354583 where: bonds (distance) C4'-P energy: -4.330 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.691 flat angles P-C4'-P energy: -4.127 tors. eta vs tors. theta energy: -2.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -42.789970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.789970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.789970 (E_RNA) where: Base-Base interactions energy: -19.230 where: short stacking energy: -19.230 Base-Backbone interact. energy: -0.000 local terms energy: -23.559948 where: bonds (distance) C4'-P energy: -4.587 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.396 flat angles P-C4'-P energy: -2.610 tors. eta vs tors. theta energy: -4.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -37.091252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.091252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.091252 (E_RNA) where: Base-Base interactions energy: -17.551 where: short stacking energy: -17.551 Base-Backbone interact. energy: -0.072 local terms energy: -19.467767 where: bonds (distance) C4'-P energy: -4.872 bonds (distance) P-C4' energy: -4.865 flat angles C4'-P-C4' energy: -3.536 flat angles P-C4'-P energy: -4.155 tors. eta vs tors. theta energy: -2.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -28.425213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.425213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.425213 (E_RNA) where: Base-Base interactions energy: -7.407 where: short stacking energy: -7.407 Base-Backbone interact. energy: -0.001 local terms energy: -21.017359 where: bonds (distance) C4'-P energy: -3.911 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.898 flat angles P-C4'-P energy: -4.375 tors. eta vs tors. theta energy: -0.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -36.420697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.420697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.420697 (E_RNA) where: Base-Base interactions energy: -12.436 where: short stacking energy: -12.436 Base-Backbone interact. energy: -0.000 local terms energy: -23.984851 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -4.708 flat angles P-C4'-P energy: -3.559 tors. eta vs tors. theta energy: -3.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -33.207484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.207484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.207484 (E_RNA) where: Base-Base interactions energy: -12.845 where: short stacking energy: -11.825 Base-Backbone interact. energy: -0.274 local terms energy: -20.088445 where: bonds (distance) C4'-P energy: -4.549 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -2.613 flat angles P-C4'-P energy: -2.414 tors. eta vs tors. theta energy: -3.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -42.461042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.461042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.461042 (E_RNA) where: Base-Base interactions energy: -17.681 where: short stacking energy: -17.681 Base-Backbone interact. energy: -0.008 local terms energy: -24.772454 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.631 flat angles P-C4'-P energy: -3.165 tors. eta vs tors. theta energy: -3.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -53.154988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.154988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.154988 (E_RNA) where: Base-Base interactions energy: -25.808 where: short stacking energy: -25.808 Base-Backbone interact. energy: -0.000 local terms energy: -27.347114 where: bonds (distance) C4'-P energy: -3.159 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -6.062 flat angles P-C4'-P energy: -5.147 tors. eta vs tors. theta energy: -6.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -43.332145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.332145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.332145 (E_RNA) where: Base-Base interactions energy: -19.558 where: short stacking energy: -19.558 Base-Backbone interact. energy: -0.000 local terms energy: -23.774241 where: bonds (distance) C4'-P energy: -3.828 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.020 flat angles P-C4'-P energy: -3.384 tors. eta vs tors. theta energy: -3.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -38.220077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.220077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.220077 (E_RNA) where: Base-Base interactions energy: -14.696 where: short stacking energy: -14.696 Base-Backbone interact. energy: -0.000 local terms energy: -23.524249 where: bonds (distance) C4'-P energy: -4.504 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.536 flat angles P-C4'-P energy: -2.440 tors. eta vs tors. theta energy: -5.402 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: 4 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -32.472205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.472205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.472205 (E_RNA) where: Base-Base interactions energy: -13.843 where: short stacking energy: -13.843 Base-Backbone interact. energy: -0.122 local terms energy: -18.507155 where: bonds (distance) C4'-P energy: -3.733 bonds (distance) P-C4' energy: -3.159 flat angles C4'-P-C4' energy: -5.362 flat angles P-C4'-P energy: -2.681 tors. eta vs tors. theta energy: -3.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -38.079244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.079244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.079244 (E_RNA) where: Base-Base interactions energy: -16.176 where: short stacking energy: -10.945 Base-Backbone interact. energy: -0.001 local terms energy: -21.901715 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -4.170 flat angles C4'-P-C4' energy: -4.627 flat angles P-C4'-P energy: -4.375 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: 7, replica: 3 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -36.952337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.952337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.952337 (E_RNA) where: Base-Base interactions energy: -19.868 where: short stacking energy: -4.829 Base-Backbone interact. energy: -0.285 local terms energy: -16.799276 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -4.486 flat angles P-C4'-P energy: -0.753 tors. eta vs tors. theta energy: 0.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -35.582815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.582815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.582815 (E_RNA) where: Base-Base interactions energy: -15.574 where: short stacking energy: -15.574 Base-Backbone interact. energy: -0.000 local terms energy: -20.008426 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -5.032 flat angles P-C4'-P energy: -2.556 tors. eta vs tors. theta energy: -1.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -39.324003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.324003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.324003 (E_RNA) where: Base-Base interactions energy: -17.731 where: short stacking energy: -11.238 Base-Backbone interact. energy: -0.004 local terms energy: -21.589392 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -0.969 flat angles P-C4'-P energy: -3.963 tors. eta vs tors. theta energy: -4.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -35.831736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.831736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.831736 (E_RNA) where: Base-Base interactions energy: -16.229 where: short stacking energy: -16.229 Base-Backbone interact. energy: -0.002 local terms energy: -19.600788 where: bonds (distance) C4'-P energy: -4.872 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -4.097 flat angles P-C4'-P energy: 0.654 tors. eta vs tors. theta energy: -5.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -45.266726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.266726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.266726 (E_RNA) where: Base-Base interactions energy: -19.738 where: short stacking energy: -16.810 Base-Backbone interact. energy: -0.000 local terms energy: -25.527871 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.296 flat angles P-C4'-P energy: -3.901 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: 2, replica: 2 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -38.420996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.420996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.420996 (E_RNA) where: Base-Base interactions energy: -16.426 where: short stacking energy: -16.426 Base-Backbone interact. energy: 0.319 local terms energy: -22.314188 where: bonds (distance) C4'-P energy: -5.427 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -6.059 flat angles P-C4'-P energy: -4.110 tors. eta vs tors. theta energy: -0.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -54.316774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.316774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.316774 (E_RNA) where: Base-Base interactions energy: -27.050 where: short stacking energy: -27.050 Base-Backbone interact. energy: -0.000 local terms energy: -27.266675 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -5.826 flat angles C4'-P-C4' energy: -6.308 flat angles P-C4'-P energy: -3.272 tors. eta vs tors. theta energy: -6.226 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: 1 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -43.960005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.960005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.960005 (E_RNA) where: Base-Base interactions energy: -20.660 where: short stacking energy: -18.816 Base-Backbone interact. energy: -0.005 local terms energy: -23.295242 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -5.371 flat angles P-C4'-P energy: -1.412 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: 5, replica: 5 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -38.494432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.494432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.494432 (E_RNA) where: Base-Base interactions energy: -19.575 where: short stacking energy: -12.833 Base-Backbone interact. energy: 0.902 local terms energy: -19.821768 where: bonds (distance) C4'-P energy: -4.647 bonds (distance) P-C4' energy: -5.101 flat angles C4'-P-C4' energy: -4.757 flat angles P-C4'-P energy: -4.961 tors. eta vs tors. theta energy: -0.355 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: 4 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -35.951539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.951539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.951539 (E_RNA) where: Base-Base interactions energy: -13.654 where: short stacking energy: -13.654 Base-Backbone interact. energy: -0.000 local terms energy: -22.297994 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -5.085 flat angles C4'-P-C4' energy: -5.340 flat angles P-C4'-P energy: -4.593 tors. eta vs tors. theta energy: -2.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -36.742672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.742672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.742672 (E_RNA) where: Base-Base interactions energy: -13.044 where: short stacking energy: -13.044 Base-Backbone interact. energy: -0.000 local terms energy: -23.698519 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -5.179 flat angles P-C4'-P energy: -4.713 tors. eta vs tors. theta energy: -1.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -32.902096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.902096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.902096 (E_RNA) where: Base-Base interactions energy: -8.346 where: short stacking energy: -8.346 Base-Backbone interact. energy: -0.000 local terms energy: -24.555597 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -4.762 flat angles P-C4'-P energy: -4.189 tors. eta vs tors. theta energy: -2.572 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: 7 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -33.913561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.913561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.913561 (E_RNA) where: Base-Base interactions energy: -13.798 where: short stacking energy: -8.416 Base-Backbone interact. energy: -0.818 local terms energy: -19.298031 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.392 flat angles P-C4'-P energy: -2.411 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: 10, replica: 10 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -31.314273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.314273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.314273 (E_RNA) where: Base-Base interactions energy: -12.923 where: short stacking energy: -9.917 Base-Backbone interact. energy: -0.000 local terms energy: -18.390789 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -4.131 flat angles C4'-P-C4' energy: -2.381 flat angles P-C4'-P energy: -4.023 tors. eta vs tors. theta energy: -2.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -44.221570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.221570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.221570 (E_RNA) where: Base-Base interactions energy: -16.511 where: short stacking energy: -16.511 Base-Backbone interact. energy: -0.000 local terms energy: -27.710762 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -6.140 flat angles P-C4'-P energy: -3.214 tors. eta vs tors. theta energy: -5.724 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: 6 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -51.746853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.746853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.746853 (E_RNA) where: Base-Base interactions energy: -23.014 where: short stacking energy: -23.014 Base-Backbone interact. energy: -0.000 local terms energy: -28.732772 where: bonds (distance) C4'-P energy: -4.719 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -6.321 flat angles P-C4'-P energy: -5.309 tors. eta vs tors. theta energy: -6.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -40.834230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.834230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.834230 (E_RNA) where: Base-Base interactions energy: -17.946 where: short stacking energy: -12.206 Base-Backbone interact. energy: -0.113 local terms energy: -22.776021 where: bonds (distance) C4'-P energy: -4.507 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.940 flat angles P-C4'-P energy: -5.058 tors. eta vs tors. theta energy: -1.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -42.656742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.656742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.656742 (E_RNA) where: Base-Base interactions energy: -18.321 where: short stacking energy: -18.321 Base-Backbone interact. energy: -0.002 local terms energy: -24.334404 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.522 flat angles P-C4'-P energy: -3.732 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: 5, replica: 1 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -45.567981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.567981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.567981 (E_RNA) where: Base-Base interactions energy: -19.712 where: short stacking energy: -19.712 Base-Backbone interact. energy: -0.000 local terms energy: -25.856449 where: bonds (distance) C4'-P energy: -5.510 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -4.451 flat angles P-C4'-P energy: -4.250 tors. eta vs tors. theta energy: -5.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -42.026232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.026232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.026232 (E_RNA) where: Base-Base interactions energy: -17.490 where: short stacking energy: -17.490 Base-Backbone interact. energy: -0.000 local terms energy: -24.536398 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -5.604 flat angles C4'-P-C4' energy: -5.550 flat angles P-C4'-P energy: -3.369 tors. eta vs tors. theta energy: -4.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -39.559950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.559950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.559950 (E_RNA) where: Base-Base interactions energy: -14.857 where: short stacking energy: -14.857 Base-Backbone interact. energy: -0.371 local terms energy: -24.332101 where: bonds (distance) C4'-P energy: -4.864 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -4.562 flat angles P-C4'-P energy: -5.210 tors. eta vs tors. theta energy: -4.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -35.296140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.296140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.296140 (E_RNA) where: Base-Base interactions energy: -13.659 where: short stacking energy: -11.123 Base-Backbone interact. energy: -0.099 local terms energy: -21.537844 where: bonds (distance) C4'-P energy: -3.643 bonds (distance) P-C4' energy: -5.843 flat angles C4'-P-C4' energy: -6.643 flat angles P-C4'-P energy: -4.517 tors. eta vs tors. theta energy: -0.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -29.466052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.466052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.466052 (E_RNA) where: Base-Base interactions energy: -9.742 where: short stacking energy: -9.615 Base-Backbone interact. energy: -0.013 local terms energy: -19.710822 where: bonds (distance) C4'-P energy: -5.891 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.605 flat angles P-C4'-P energy: -4.031 tors. eta vs tors. theta energy: 1.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -35.721661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.721661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.721661 (E_RNA) where: Base-Base interactions energy: -14.917 where: short stacking energy: -14.917 Base-Backbone interact. energy: -0.012 local terms energy: -20.792519 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -3.773 flat angles P-C4'-P energy: -3.303 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: 6 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -47.376543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.376543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.376543 (E_RNA) where: Base-Base interactions energy: -21.891 where: short stacking energy: -21.891 Base-Backbone interact. energy: -0.000 local terms energy: -25.485218 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -4.612 flat angles P-C4'-P energy: -3.695 tors. eta vs tors. theta energy: -5.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -45.051640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.051640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.051640 (E_RNA) where: Base-Base interactions energy: -17.145 where: short stacking energy: -17.145 Base-Backbone interact. energy: -0.028 local terms energy: -27.878783 where: bonds (distance) C4'-P energy: -5.100 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.077 flat angles P-C4'-P energy: -4.687 tors. eta vs tors. theta energy: -5.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -47.462855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.462855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.462855 (E_RNA) where: Base-Base interactions energy: -21.816 where: short stacking energy: -21.816 Base-Backbone interact. energy: -0.000 local terms energy: -25.646407 where: bonds (distance) C4'-P energy: -3.547 bonds (distance) P-C4' energy: -5.212 flat angles C4'-P-C4' energy: -6.592 flat angles P-C4'-P energy: -5.042 tors. eta vs tors. theta energy: -5.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -42.412602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.412602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.412602 (E_RNA) where: Base-Base interactions energy: -18.103 where: short stacking energy: -17.745 Base-Backbone interact. energy: -0.031 local terms energy: -24.278299 where: bonds (distance) C4'-P energy: -5.149 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -6.498 flat angles P-C4'-P energy: -4.105 tors. eta vs tors. theta energy: -2.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -40.657449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.657449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.657449 (E_RNA) where: Base-Base interactions energy: -13.406 where: short stacking energy: -13.406 Base-Backbone interact. energy: -0.000 local terms energy: -27.250995 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -5.763 flat angles P-C4'-P energy: -3.523 tors. eta vs tors. theta energy: -6.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -36.330551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.330551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.330551 (E_RNA) where: Base-Base interactions energy: -12.850 where: short stacking energy: -12.850 Base-Backbone interact. energy: -0.000 local terms energy: -23.480761 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.949 flat angles P-C4'-P energy: -3.312 tors. eta vs tors. theta energy: -2.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -34.116719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.116719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.116719 (E_RNA) where: Base-Base interactions energy: -13.798 where: short stacking energy: -13.798 Base-Backbone interact. energy: -0.000 local terms energy: -20.318732 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.203 flat angles P-C4'-P energy: -1.677 tors. eta vs tors. theta energy: -0.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -31.789017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.789017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.789017 (E_RNA) where: Base-Base interactions energy: -11.069 where: short stacking energy: -11.069 Base-Backbone interact. energy: -0.120 local terms energy: -20.600167 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -4.983 flat angles P-C4'-P energy: -4.264 tors. eta vs tors. theta energy: -0.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -34.150704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.150704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.150704 (E_RNA) where: Base-Base interactions energy: -14.979 where: short stacking energy: -12.324 Base-Backbone interact. energy: -0.079 local terms energy: -19.092625 where: bonds (distance) C4'-P energy: -4.172 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -3.316 flat angles P-C4'-P energy: -3.393 tors. eta vs tors. theta energy: -1.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -31.885066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.885066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.885066 (E_RNA) where: Base-Base interactions energy: -15.359 where: short stacking energy: -15.359 Base-Backbone interact. energy: -0.024 local terms energy: -16.502472 where: bonds (distance) C4'-P energy: -4.516 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -3.069 flat angles P-C4'-P energy: -2.087 tors. eta vs tors. theta energy: -0.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -44.414014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.414014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.414014 (E_RNA) where: Base-Base interactions energy: -17.041 where: short stacking energy: -17.041 Base-Backbone interact. energy: -0.000 local terms energy: -27.372936 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -6.082 flat angles P-C4'-P energy: -2.996 tors. eta vs tors. theta energy: -5.102 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: 5 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -51.739976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.739976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.739976 (E_RNA) where: Base-Base interactions energy: -25.181 where: short stacking energy: -25.181 Base-Backbone interact. energy: -0.000 local terms energy: -26.558766 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -4.910 flat angles C4'-P-C4' energy: -4.959 flat angles P-C4'-P energy: -3.740 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: 3, replica: 8 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -49.852642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.852642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.852642 (E_RNA) where: Base-Base interactions energy: -25.540 where: short stacking energy: -25.540 Base-Backbone interact. energy: -0.000 local terms energy: -24.312686 where: bonds (distance) C4'-P energy: -5.163 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -5.281 flat angles P-C4'-P energy: -2.218 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: 4, replica: 3 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -42.722076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.722076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.722076 (E_RNA) where: Base-Base interactions energy: -18.227 where: short stacking energy: -15.413 Base-Backbone interact. energy: -0.336 local terms energy: -24.158835 where: bonds (distance) C4'-P energy: -5.393 bonds (distance) P-C4' energy: -5.671 flat angles C4'-P-C4' energy: -5.287 flat angles P-C4'-P energy: -5.245 tors. eta vs tors. theta energy: -2.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -42.742341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.742341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.742341 (E_RNA) where: Base-Base interactions energy: -17.049 where: short stacking energy: -17.049 Base-Backbone interact. energy: -0.000 local terms energy: -25.693274 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -5.374 flat angles P-C4'-P energy: -4.894 tors. eta vs tors. theta energy: -3.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -35.535340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.535340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.535340 (E_RNA) where: Base-Base interactions energy: -14.017 where: short stacking energy: -14.017 Base-Backbone interact. energy: -0.007 local terms energy: -21.510790 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -5.177 flat angles C4'-P-C4' energy: -3.717 flat angles P-C4'-P energy: -5.545 tors. eta vs tors. theta energy: -2.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -34.962794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.962794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.962794 (E_RNA) where: Base-Base interactions energy: -13.866 where: short stacking energy: -13.866 Base-Backbone interact. energy: 0.287 local terms energy: -21.383875 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -2.963 flat angles C4'-P-C4' energy: -5.020 flat angles P-C4'-P energy: -4.575 tors. eta vs tors. theta energy: -3.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -42.425145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.425145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.425145 (E_RNA) where: Base-Base interactions energy: -16.399 where: short stacking energy: -16.399 Base-Backbone interact. energy: -0.000 local terms energy: -26.026280 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -4.340 flat angles P-C4'-P energy: -4.631 tors. eta vs tors. theta energy: -5.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -44.874789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.874789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.874789 (E_RNA) where: Base-Base interactions energy: -22.975 where: short stacking energy: -22.975 Base-Backbone interact. energy: -0.000 local terms energy: -21.899710 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -5.512 flat angles C4'-P-C4' energy: -3.916 flat angles P-C4'-P energy: -2.483 tors. eta vs tors. theta energy: -4.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -31.546426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.546426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.546426 (E_RNA) where: Base-Base interactions energy: -14.549 where: short stacking energy: -10.634 Base-Backbone interact. energy: 1.033 local terms energy: -18.030854 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -2.583 flat angles P-C4'-P energy: -2.653 tors. eta vs tors. theta energy: -1.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -52.701102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.701102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.701102 (E_RNA) where: Base-Base interactions energy: -24.976 where: short stacking energy: -24.976 Base-Backbone interact. energy: -0.000 local terms energy: -27.724756 where: bonds (distance) C4'-P energy: -4.877 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.001 flat angles P-C4'-P energy: -3.915 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: 2, replica: 6 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -55.325403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.325403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.325403 (E_RNA) where: Base-Base interactions energy: -26.306 where: short stacking energy: -26.306 Base-Backbone interact. energy: -0.000 local terms energy: -29.019574 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.924 flat angles P-C4'-P energy: -3.581 tors. eta vs tors. theta energy: -7.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -48.765266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.765266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.765266 (E_RNA) where: Base-Base interactions energy: -22.126 where: short stacking energy: -22.126 Base-Backbone interact. energy: -0.000 local terms energy: -26.639314 where: bonds (distance) C4'-P energy: -5.163 bonds (distance) P-C4' energy: -5.843 flat angles C4'-P-C4' energy: -5.006 flat angles P-C4'-P energy: -5.325 tors. eta vs tors. theta energy: -5.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -39.247513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.247513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.247513 (E_RNA) where: Base-Base interactions energy: -20.365 where: short stacking energy: -10.011 Base-Backbone interact. energy: -0.003 local terms energy: -18.879600 where: bonds (distance) C4'-P energy: -3.936 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -4.879 flat angles P-C4'-P energy: -1.507 tors. eta vs tors. theta energy: -2.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -40.494313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.494313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.494313 (E_RNA) where: Base-Base interactions energy: -19.578 where: short stacking energy: -19.578 Base-Backbone interact. energy: -0.000 local terms energy: -20.915937 where: bonds (distance) C4'-P energy: -3.324 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -4.638 flat angles P-C4'-P energy: -4.594 tors. eta vs tors. theta energy: -1.463 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: 2 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -40.631360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.631360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.631360 (E_RNA) where: Base-Base interactions energy: -18.047 where: short stacking energy: -14.934 Base-Backbone interact. energy: -0.006 local terms energy: -22.578337 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.627 flat angles P-C4'-P energy: -3.552 tors. eta vs tors. theta energy: -1.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -34.831964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.831964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.831964 (E_RNA) where: Base-Base interactions energy: -13.708 where: short stacking energy: -13.708 Base-Backbone interact. energy: -0.001 local terms energy: -21.122707 where: bonds (distance) C4'-P energy: -3.378 bonds (distance) P-C4' energy: -4.647 flat angles C4'-P-C4' energy: -6.041 flat angles P-C4'-P energy: -4.965 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: 8, replica: 1 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -34.273655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.273655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.273655 (E_RNA) where: Base-Base interactions energy: -14.203 where: short stacking energy: -11.112 Base-Backbone interact. energy: -0.013 local terms energy: -20.057846 where: bonds (distance) C4'-P energy: -4.541 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.304 flat angles P-C4'-P energy: -1.295 tors. eta vs tors. theta energy: -2.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -30.546095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.546095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.546095 (E_RNA) where: Base-Base interactions energy: -12.289 where: short stacking energy: -9.489 Base-Backbone interact. energy: -0.071 local terms energy: -18.186280 where: bonds (distance) C4'-P energy: -2.910 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.493 flat angles P-C4'-P energy: -3.486 tors. eta vs tors. theta energy: -0.102 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: 10, replica: 10 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -35.941793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.941793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.941793 (E_RNA) where: Base-Base interactions energy: -17.236 where: short stacking energy: -13.156 Base-Backbone interact. energy: -0.007 local terms energy: -18.698544 where: bonds (distance) C4'-P energy: -5.277 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -5.557 flat angles P-C4'-P energy: -3.580 tors. eta vs tors. theta energy: 0.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -47.478335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.478335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.478335 (E_RNA) where: Base-Base interactions energy: -23.979 where: short stacking energy: -23.979 Base-Backbone interact. energy: -0.000 local terms energy: -23.499112 where: bonds (distance) C4'-P energy: -5.431 bonds (distance) P-C4' energy: -4.684 flat angles C4'-P-C4' energy: -6.086 flat angles P-C4'-P energy: -1.834 tors. eta vs tors. theta energy: -5.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -48.291124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.291124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.291124 (E_RNA) where: Base-Base interactions energy: -21.403 where: short stacking energy: -21.403 Base-Backbone interact. energy: -0.000 local terms energy: -26.888063 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.135 flat angles P-C4'-P energy: -4.660 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: 3, replica: 6 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -39.137835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.137835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.137835 (E_RNA) where: Base-Base interactions energy: -15.439 where: short stacking energy: -15.439 Base-Backbone interact. energy: -0.052 local terms energy: -23.646565 where: bonds (distance) C4'-P energy: -4.318 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.354 flat angles P-C4'-P energy: -4.402 tors. eta vs tors. theta energy: -2.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -41.970559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.970559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.970559 (E_RNA) where: Base-Base interactions energy: -15.940 where: short stacking energy: -15.940 Base-Backbone interact. energy: -0.000 local terms energy: -26.030596 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.898 flat angles P-C4'-P energy: -3.738 tors. eta vs tors. theta energy: -4.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -37.162501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.162501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.162501 (E_RNA) where: Base-Base interactions energy: -14.901 where: short stacking energy: -14.901 Base-Backbone interact. energy: -0.003 local terms energy: -22.257987 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -4.277 flat angles P-C4'-P energy: -4.275 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: 6, replica: 4 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -36.774810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.774810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.774810 (E_RNA) where: Base-Base interactions energy: -14.677 where: short stacking energy: -14.677 Base-Backbone interact. energy: -0.002 local terms energy: -22.096804 where: bonds (distance) C4'-P energy: -4.764 bonds (distance) P-C4' energy: -5.283 flat angles C4'-P-C4' energy: -5.983 flat angles P-C4'-P energy: -4.578 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: 7, replica: 2 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -37.729747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.729747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.729747 (E_RNA) where: Base-Base interactions energy: -13.884 where: short stacking energy: -13.884 Base-Backbone interact. energy: -0.014 local terms energy: -23.831897 where: bonds (distance) C4'-P energy: -4.913 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.604 flat angles P-C4'-P energy: -5.163 tors. eta vs tors. theta energy: -2.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -32.770820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.770820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.770820 (E_RNA) where: Base-Base interactions energy: -11.163 where: short stacking energy: -11.163 Base-Backbone interact. energy: -0.000 local terms energy: -21.607959 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -4.752 flat angles C4'-P-C4' energy: -6.006 flat angles P-C4'-P energy: -3.672 tors. eta vs tors. theta energy: -1.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -38.233556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.233556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.233556 (E_RNA) where: Base-Base interactions energy: -17.656 where: short stacking energy: -17.656 Base-Backbone interact. energy: -0.000 local terms energy: -20.577062 where: bonds (distance) C4'-P energy: -4.309 bonds (distance) P-C4' energy: -4.684 flat angles C4'-P-C4' energy: -5.253 flat angles P-C4'-P energy: -3.829 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: 10, replica: 10 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -32.727216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.727216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.727216 (E_RNA) where: Base-Base interactions energy: -16.112 where: short stacking energy: -11.304 Base-Backbone interact. energy: -0.507 local terms energy: -16.107852 where: bonds (distance) C4'-P energy: -1.759 bonds (distance) P-C4' energy: -4.306 flat angles C4'-P-C4' energy: -6.117 flat angles P-C4'-P energy: -1.770 tors. eta vs tors. theta energy: -2.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -54.313372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.313372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.313372 (E_RNA) where: Base-Base interactions energy: -26.153 where: short stacking energy: -26.153 Base-Backbone interact. energy: -0.000 local terms energy: -28.160657 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -5.947 flat angles P-C4'-P energy: -2.407 tors. eta vs tors. theta energy: -8.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -46.193083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.193083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.193083 (E_RNA) where: Base-Base interactions energy: -21.383 where: short stacking energy: -21.383 Base-Backbone interact. energy: 0.036 local terms energy: -24.845509 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.335 flat angles P-C4'-P energy: -2.119 tors. eta vs tors. theta energy: -6.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -43.063814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.063814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.063814 (E_RNA) where: Base-Base interactions energy: -24.463 where: short stacking energy: -12.826 Base-Backbone interact. energy: -0.002 local terms energy: -18.598608 where: bonds (distance) C4'-P energy: -5.481 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.730 flat angles P-C4'-P energy: -0.289 tors. eta vs tors. theta energy: -1.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -38.408777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.408777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.408777 (E_RNA) where: Base-Base interactions energy: -16.358 where: short stacking energy: -11.846 Base-Backbone interact. energy: -0.159 local terms energy: -21.890985 where: bonds (distance) C4'-P energy: -4.492 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -6.313 flat angles P-C4'-P energy: -4.474 tors. eta vs tors. theta energy: -1.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -40.219245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.219245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.219245 (E_RNA) where: Base-Base interactions energy: -16.737 where: short stacking energy: -11.422 Base-Backbone interact. energy: -0.012 local terms energy: -23.470088 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.995 flat angles P-C4'-P energy: -3.095 tors. eta vs tors. theta energy: -1.589 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: 8 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -47.487023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.487023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.487023 (E_RNA) where: Base-Base interactions energy: -22.378 where: short stacking energy: -22.378 Base-Backbone interact. energy: -0.000 local terms energy: -25.109136 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -5.854 flat angles P-C4'-P energy: -1.763 tors. eta vs tors. theta energy: -4.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -40.472537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.472537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.472537 (E_RNA) where: Base-Base interactions energy: -17.347 where: short stacking energy: -17.347 Base-Backbone interact. energy: -0.082 local terms energy: -23.043396 where: bonds (distance) C4'-P energy: -5.845 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.116 flat angles P-C4'-P energy: -2.264 tors. eta vs tors. theta energy: -2.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -36.922183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.922183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.922183 (E_RNA) where: Base-Base interactions energy: -16.584 where: short stacking energy: -16.584 Base-Backbone interact. energy: 0.175 local terms energy: -20.513171 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -6.364 flat angles C4'-P-C4' energy: -5.081 flat angles P-C4'-P energy: -3.447 tors. eta vs tors. theta energy: -0.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -37.085049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.085049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.085049 (E_RNA) where: Base-Base interactions energy: -15.919 where: short stacking energy: -13.100 Base-Backbone interact. energy: -0.006 local terms energy: -21.160969 where: bonds (distance) C4'-P energy: -4.177 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.236 flat angles P-C4'-P energy: -3.328 tors. eta vs tors. theta energy: -2.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -37.434869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.434869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.434869 (E_RNA) where: Base-Base interactions energy: -13.056 where: short stacking energy: -13.056 Base-Backbone interact. energy: -0.000 local terms energy: -24.378315 where: bonds (distance) C4'-P energy: -3.696 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -6.766 flat angles P-C4'-P energy: -4.338 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: 1, replica: 3 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -48.865120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.865120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.865120 (E_RNA) where: Base-Base interactions energy: -21.971 where: short stacking energy: -21.971 Base-Backbone interact. energy: -0.000 local terms energy: -26.894291 where: bonds (distance) C4'-P energy: -4.221 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -6.241 flat angles P-C4'-P energy: -5.507 tors. eta vs tors. theta energy: -4.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -47.375585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.375585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.375585 (E_RNA) where: Base-Base interactions energy: -21.395 where: short stacking energy: -21.395 Base-Backbone interact. energy: -0.002 local terms energy: -25.979382 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -6.247 flat angles P-C4'-P energy: -5.014 tors. eta vs tors. theta energy: -2.391 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: 337 Temperature: 1.000000 Total energy: -48.755905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.755905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.755905 (E_RNA) where: Base-Base interactions energy: -21.610 where: short stacking energy: -21.610 Base-Backbone interact. energy: -0.000 local terms energy: -27.146320 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -6.126 flat angles P-C4'-P energy: -4.649 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: 4, replica: 4 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -39.932618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.932618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.932618 (E_RNA) where: Base-Base interactions energy: -14.687 where: short stacking energy: -14.687 Base-Backbone interact. energy: -0.055 local terms energy: -25.190210 where: bonds (distance) C4'-P energy: -4.144 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -5.005 flat angles P-C4'-P energy: -4.249 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: 5, replica: 6 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -44.038128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.038128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.038128 (E_RNA) where: Base-Base interactions energy: -21.652 where: short stacking energy: -21.652 Base-Backbone interact. energy: -0.000 local terms energy: -22.386269 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -4.286 flat angles C4'-P-C4' energy: -6.416 flat angles P-C4'-P energy: -2.739 tors. eta vs tors. theta energy: -3.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -43.743235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.743235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.743235 (E_RNA) where: Base-Base interactions energy: -21.392 where: short stacking energy: -21.392 Base-Backbone interact. energy: -0.054 local terms energy: -22.297391 where: bonds (distance) C4'-P energy: -4.699 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.646 flat angles P-C4'-P energy: -3.044 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: 7, replica: 8 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -32.612318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.612318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.612318 (E_RNA) where: Base-Base interactions energy: -13.665 where: short stacking energy: -9.651 Base-Backbone interact. energy: -0.075 local terms energy: -18.872300 where: bonds (distance) C4'-P energy: -4.037 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -4.932 flat angles P-C4'-P energy: -2.947 tors. eta vs tors. theta energy: -0.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -35.879996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.879996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.879996 (E_RNA) where: Base-Base interactions energy: -14.813 where: short stacking energy: -9.626 Base-Backbone interact. energy: -0.000 local terms energy: -21.066911 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.779 flat angles P-C4'-P energy: -1.545 tors. eta vs tors. theta energy: -3.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -38.804000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.804000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.804000 (E_RNA) where: Base-Base interactions energy: -19.734 where: short stacking energy: -19.734 Base-Backbone interact. energy: -0.000 local terms energy: -19.070222 where: bonds (distance) C4'-P energy: -3.671 bonds (distance) P-C4' energy: -5.157 flat angles C4'-P-C4' energy: -4.409 flat angles P-C4'-P energy: -2.495 tors. eta vs tors. theta energy: -3.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -34.119776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.119776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.119776 (E_RNA) where: Base-Base interactions energy: -13.829 where: short stacking energy: -13.829 Base-Backbone interact. energy: -0.042 local terms energy: -20.248959 where: bonds (distance) C4'-P energy: -3.812 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -5.383 flat angles P-C4'-P energy: -5.137 tors. eta vs tors. theta energy: -1.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -46.545816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.545816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.545816 (E_RNA) where: Base-Base interactions energy: -25.848 where: short stacking energy: -16.595 Base-Backbone interact. energy: -0.003 local terms energy: -20.694989 where: bonds (distance) C4'-P energy: -5.037 bonds (distance) P-C4' energy: -5.868 flat angles C4'-P-C4' energy: -4.381 flat angles P-C4'-P energy: -3.099 tors. eta vs tors. theta energy: -2.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -45.301521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.301521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.301521 (E_RNA) where: Base-Base interactions energy: -20.283 where: short stacking energy: -20.283 Base-Backbone interact. energy: -0.000 local terms energy: -25.018049 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.935 flat angles P-C4'-P energy: -5.317 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: 3, replica: 5 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -48.809798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.809798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.809798 (E_RNA) where: Base-Base interactions energy: -24.988 where: short stacking energy: -24.988 Base-Backbone interact. energy: -0.003 local terms energy: -23.819133 where: bonds (distance) C4'-P energy: -5.840 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -1.801 flat angles P-C4'-P energy: -4.417 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: 4, replica: 4 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -48.003962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.003962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.003962 (E_RNA) where: Base-Base interactions energy: -21.554 where: short stacking energy: -21.554 Base-Backbone interact. energy: -0.000 local terms energy: -26.450224 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -4.151 flat angles P-C4'-P energy: -4.257 tors. eta vs tors. theta energy: -5.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -34.712100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.712100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.712100 (E_RNA) where: Base-Base interactions energy: -16.177 where: short stacking energy: -16.177 Base-Backbone interact. energy: -0.086 local terms energy: -18.449007 where: bonds (distance) C4'-P energy: -5.153 bonds (distance) P-C4' energy: -4.917 flat angles C4'-P-C4' energy: -3.974 flat angles P-C4'-P energy: -3.299 tors. eta vs tors. theta energy: -1.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -35.167947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.167947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.167947 (E_RNA) where: Base-Base interactions energy: -12.792 where: short stacking energy: -12.792 Base-Backbone interact. energy: -0.042 local terms energy: -22.334835 where: bonds (distance) C4'-P energy: -4.764 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -4.501 flat angles P-C4'-P energy: -5.140 tors. eta vs tors. theta energy: -2.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -35.345085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.345085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.345085 (E_RNA) where: Base-Base interactions energy: -14.589 where: short stacking energy: -14.589 Base-Backbone interact. energy: -0.024 local terms energy: -20.732797 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -4.417 flat angles C4'-P-C4' energy: -4.976 flat angles P-C4'-P energy: -2.940 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: 8, replica: 8 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -34.136262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.136262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.136262 (E_RNA) where: Base-Base interactions energy: -13.299 where: short stacking energy: -13.299 Base-Backbone interact. energy: -0.002 local terms energy: -20.835463 where: bonds (distance) C4'-P energy: -4.011 bonds (distance) P-C4' energy: -4.557 flat angles C4'-P-C4' energy: -5.729 flat angles P-C4'-P energy: -4.804 tors. eta vs tors. theta energy: -1.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -32.680235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.680235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.680235 (E_RNA) where: Base-Base interactions energy: -15.453 where: short stacking energy: -5.850 Base-Backbone interact. energy: -0.179 local terms energy: -17.047938 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -0.879 flat angles P-C4'-P energy: -2.575 tors. eta vs tors. theta energy: -1.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -31.711436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.711436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.711436 (E_RNA) where: Base-Base interactions energy: -13.259 where: short stacking energy: -12.326 Base-Backbone interact. energy: -0.002 local terms energy: -18.451168 where: bonds (distance) C4'-P energy: -2.471 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -4.372 flat angles P-C4'-P energy: -4.664 tors. eta vs tors. theta energy: -1.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -52.917346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.917346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.917346 (E_RNA) where: Base-Base interactions energy: -24.752 where: short stacking energy: -24.752 Base-Backbone interact. energy: -0.000 local terms energy: -28.165029 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -5.766 flat angles P-C4'-P energy: -4.140 tors. eta vs tors. theta energy: -6.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -45.167010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.167010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.167010 (E_RNA) where: Base-Base interactions energy: -19.441 where: short stacking energy: -19.441 Base-Backbone interact. energy: -0.000 local terms energy: -25.725470 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -4.629 flat angles P-C4'-P energy: -4.169 tors. eta vs tors. theta energy: -5.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -38.981575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.981575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.981575 (E_RNA) where: Base-Base interactions energy: -16.203 where: short stacking energy: -12.948 Base-Backbone interact. energy: -0.000 local terms energy: -22.778208 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -5.319 flat angles P-C4'-P energy: -3.590 tors. eta vs tors. theta energy: -2.068 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: 339 Temperature: 1.050000 Total energy: -36.893115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.893115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.893115 (E_RNA) where: Base-Base interactions energy: -15.144 where: short stacking energy: -8.377 Base-Backbone interact. energy: -0.098 local terms energy: -21.651344 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -6.361 flat angles C4'-P-C4' energy: -5.071 flat angles P-C4'-P energy: -2.774 tors. eta vs tors. theta energy: -1.278 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: 4 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -43.490510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.490510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.490510 (E_RNA) where: Base-Base interactions energy: -17.485 where: short stacking energy: -15.443 Base-Backbone interact. energy: -0.075 local terms energy: -25.929823 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -5.018 flat angles P-C4'-P energy: -4.383 tors. eta vs tors. theta energy: -4.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -39.662574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.662574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.662574 (E_RNA) where: Base-Base interactions energy: -18.929 where: short stacking energy: -18.903 Base-Backbone interact. energy: -0.017 local terms energy: -20.716748 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -5.681 flat angles P-C4'-P energy: -0.890 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: 7, replica: 9 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -38.412333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.412333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.412333 (E_RNA) where: Base-Base interactions energy: -16.126 where: short stacking energy: -16.126 Base-Backbone interact. energy: -0.003 local terms energy: -22.284240 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.499 flat angles P-C4'-P energy: -3.510 tors. eta vs tors. theta energy: -1.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -37.374395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.374395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.374395 (E_RNA) where: Base-Base interactions energy: -15.373 where: short stacking energy: -15.373 Base-Backbone interact. energy: -0.000 local terms energy: -22.001354 where: bonds (distance) C4'-P energy: -3.121 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -5.640 flat angles P-C4'-P energy: -4.269 tors. eta vs tors. theta energy: -2.791 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: 8 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -35.327516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.327516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.327516 (E_RNA) where: Base-Base interactions energy: -17.652 where: short stacking energy: -11.969 Base-Backbone interact. energy: -0.836 local terms energy: -16.839255 where: bonds (distance) C4'-P energy: -2.740 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -4.498 flat angles P-C4'-P energy: -1.366 tors. eta vs tors. theta energy: -1.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -30.746271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.746271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.746271 (E_RNA) where: Base-Base interactions energy: -11.875 where: short stacking energy: -7.500 Base-Backbone interact. energy: 1.786 local terms energy: -20.657373 where: bonds (distance) C4'-P energy: -3.667 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -3.908 flat angles P-C4'-P energy: -3.850 tors. eta vs tors. theta energy: -2.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -46.085236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.085236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.085236 (E_RNA) where: Base-Base interactions energy: -18.795 where: short stacking energy: -18.795 Base-Backbone interact. energy: -0.000 local terms energy: -27.289685 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.922 flat angles P-C4'-P energy: -4.352 tors. eta vs tors. theta energy: -4.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -45.247106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.247106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.247106 (E_RNA) where: Base-Base interactions energy: -18.220 where: short stacking energy: -18.220 Base-Backbone interact. energy: -0.003 local terms energy: -27.024808 where: bonds (distance) C4'-P energy: -4.052 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.052 flat angles P-C4'-P energy: -4.835 tors. eta vs tors. theta energy: -4.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -40.465526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.465526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.465526 (E_RNA) where: Base-Base interactions energy: -21.539 where: short stacking energy: -11.053 Base-Backbone interact. energy: -0.094 local terms energy: -18.832651 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -4.917 flat angles C4'-P-C4' energy: -4.732 flat angles P-C4'-P energy: -3.969 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: 4, replica: 5 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -39.791325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.791325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.791325 (E_RNA) where: Base-Base interactions energy: -16.189 where: short stacking energy: -16.189 Base-Backbone interact. energy: -0.093 local terms energy: -23.509105 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.858 flat angles P-C4'-P energy: -2.843 tors. eta vs tors. theta energy: -3.165 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: 5, replica: 2 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -43.290863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.290863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.290863 (E_RNA) where: Base-Base interactions energy: -17.440 where: short stacking energy: -17.440 Base-Backbone interact. energy: -0.000 local terms energy: -25.850711 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.514 flat angles P-C4'-P energy: -2.855 tors. eta vs tors. theta energy: -4.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -34.145318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.145318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.145318 (E_RNA) where: Base-Base interactions energy: -12.950 where: short stacking energy: -12.950 Base-Backbone interact. energy: -0.096 local terms energy: -21.099254 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -6.118 flat angles C4'-P-C4' energy: -5.232 flat angles P-C4'-P energy: -3.019 tors. eta vs tors. theta energy: -1.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -37.707545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.707545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.707545 (E_RNA) where: Base-Base interactions energy: -10.732 where: short stacking energy: -10.732 Base-Backbone interact. energy: -0.083 local terms energy: -26.892059 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -5.603 flat angles C4'-P-C4' energy: -6.432 flat angles P-C4'-P energy: -4.453 tors. eta vs tors. theta energy: -4.157 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: 9 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -35.587958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.587958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.587958 (E_RNA) where: Base-Base interactions energy: -15.200 where: short stacking energy: -15.200 Base-Backbone interact. energy: 0.016 local terms energy: -20.404171 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -3.431 flat angles P-C4'-P energy: -2.860 tors. eta vs tors. theta energy: -3.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -36.284719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.284719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.284719 (E_RNA) where: Base-Base interactions energy: -12.713 where: short stacking energy: -12.713 Base-Backbone interact. energy: -0.002 local terms energy: -23.570368 where: bonds (distance) C4'-P energy: -4.391 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.324 flat angles P-C4'-P energy: -1.809 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: 8 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -34.425018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.425018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.425018 (E_RNA) where: Base-Base interactions energy: -8.348 where: short stacking energy: -8.201 Base-Backbone interact. energy: -0.000 local terms energy: -26.076506 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -6.499 flat angles P-C4'-P energy: -2.667 tors. eta vs tors. theta energy: -4.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -56.063167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.063167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.063167 (E_RNA) where: Base-Base interactions energy: -33.028 where: short stacking energy: -15.308 Base-Backbone interact. energy: -0.175 local terms energy: -22.860257 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -5.031 flat angles P-C4'-P energy: -3.711 tors. eta vs tors. theta energy: -2.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -46.963187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.963187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.963187 (E_RNA) where: Base-Base interactions energy: -22.605 where: short stacking energy: -20.159 Base-Backbone interact. energy: -0.192 local terms energy: -24.165629 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.358 flat angles C4'-P-C4' energy: -5.530 flat angles P-C4'-P energy: -2.608 tors. eta vs tors. theta energy: -4.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -45.416367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.416367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.416367 (E_RNA) where: Base-Base interactions energy: -19.670 where: short stacking energy: -19.670 Base-Backbone interact. energy: -0.000 local terms energy: -25.746495 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.618 flat angles P-C4'-P energy: -4.451 tors. eta vs tors. theta energy: -3.438 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: 341 Temperature: 1.050000 Total energy: -36.992246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.992246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.992246 (E_RNA) where: Base-Base interactions energy: -13.958 where: short stacking energy: -13.958 Base-Backbone interact. energy: -0.001 local terms energy: -23.033827 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -5.675 flat angles P-C4'-P energy: -2.809 tors. eta vs tors. theta energy: -4.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -45.262346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.262346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.262346 (E_RNA) where: Base-Base interactions energy: -22.464 where: short stacking energy: -22.464 Base-Backbone interact. energy: -0.000 local terms energy: -22.798632 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -3.642 flat angles P-C4'-P energy: -4.176 tors. eta vs tors. theta energy: -4.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -38.533645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.533645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.533645 (E_RNA) where: Base-Base interactions energy: -22.423 where: short stacking energy: -11.420 Base-Backbone interact. energy: -0.001 local terms energy: -16.109832 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -2.558 flat angles P-C4'-P energy: -0.937 tors. eta vs tors. theta energy: 0.048 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: 341 Temperature: 1.200000 Total energy: -33.399072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.399072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.399072 (E_RNA) where: Base-Base interactions energy: -13.398 where: short stacking energy: -13.398 Base-Backbone interact. energy: -0.001 local terms energy: -20.000132 where: bonds (distance) C4'-P energy: -3.990 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -4.606 flat angles P-C4'-P energy: -2.401 tors. eta vs tors. theta energy: -2.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -37.619635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.619635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.619635 (E_RNA) where: Base-Base interactions energy: -13.258 where: short stacking energy: -13.258 Base-Backbone interact. energy: -0.002 local terms energy: -24.359417 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -5.325 flat angles P-C4'-P energy: -2.997 tors. eta vs tors. theta energy: -4.572 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: 9 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -33.629787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.629787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.629787 (E_RNA) where: Base-Base interactions energy: -14.951 where: short stacking energy: -14.951 Base-Backbone interact. energy: -0.017 local terms energy: -18.661504 where: bonds (distance) C4'-P energy: -2.206 bonds (distance) P-C4' energy: -4.659 flat angles C4'-P-C4' energy: -5.715 flat angles P-C4'-P energy: -3.435 tors. eta vs tors. theta energy: -2.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -35.423471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.423471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.423471 (E_RNA) where: Base-Base interactions energy: -12.834 where: short stacking energy: -12.834 Base-Backbone interact. energy: -0.017 local terms energy: -22.572579 where: bonds (distance) C4'-P energy: -3.841 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -4.760 flat angles P-C4'-P energy: -4.849 tors. eta vs tors. theta energy: -2.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -50.311847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.311847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.311847 (E_RNA) where: Base-Base interactions energy: -22.965 where: short stacking energy: -22.965 Base-Backbone interact. energy: -0.000 local terms energy: -27.346940 where: bonds (distance) C4'-P energy: -3.547 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.548 flat angles P-C4'-P energy: -4.560 tors. eta vs tors. theta energy: -7.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -43.519077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.519077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.519077 (E_RNA) where: Base-Base interactions energy: -19.241 where: short stacking energy: -19.241 Base-Backbone interact. energy: -0.021 local terms energy: -24.257109 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.599 flat angles P-C4'-P energy: -3.942 tors. eta vs tors. theta energy: -2.241 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: 3, replica: 6 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -49.418525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.418525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.418525 (E_RNA) where: Base-Base interactions energy: -21.994 where: short stacking energy: -21.994 Base-Backbone interact. energy: -0.000 local terms energy: -27.424200 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -4.165 flat angles C4'-P-C4' energy: -5.409 flat angles P-C4'-P energy: -4.625 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: 4, replica: 2 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -50.335553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.335553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.335553 (E_RNA) where: Base-Base interactions energy: -28.227 where: short stacking energy: -17.585 Base-Backbone interact. energy: -0.070 local terms energy: -22.038574 where: bonds (distance) C4'-P energy: -4.487 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.605 flat angles P-C4'-P energy: -3.906 tors. eta vs tors. theta energy: -2.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -36.900512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.900512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.900512 (E_RNA) where: Base-Base interactions energy: -13.401 where: short stacking energy: -13.401 Base-Backbone interact. energy: -0.000 local terms energy: -23.499072 where: bonds (distance) C4'-P energy: -3.795 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -5.954 flat angles P-C4'-P energy: -3.427 tors. eta vs tors. theta energy: -4.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -44.350062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.350062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.350062 (E_RNA) where: Base-Base interactions energy: -20.515 where: short stacking energy: -20.515 Base-Backbone interact. energy: -0.000 local terms energy: -23.835387 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -4.363 flat angles P-C4'-P energy: -3.645 tors. eta vs tors. theta energy: -4.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -40.840564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.840564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.840564 (E_RNA) where: Base-Base interactions energy: -16.843 where: short stacking energy: -16.843 Base-Backbone interact. energy: -0.000 local terms energy: -23.997635 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.885 flat angles P-C4'-P energy: -2.595 tors. eta vs tors. theta energy: -3.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -41.956597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.956597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.956597 (E_RNA) where: Base-Base interactions energy: -15.073 where: short stacking energy: -10.999 Base-Backbone interact. energy: -0.000 local terms energy: -26.883578 where: bonds (distance) C4'-P energy: -4.346 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.993 flat angles P-C4'-P energy: -4.476 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: 9, replica: 8 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -34.780782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.780782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.780782 (E_RNA) where: Base-Base interactions energy: -10.296 where: short stacking energy: -10.296 Base-Backbone interact. energy: -0.001 local terms energy: -24.483878 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -6.577 flat angles P-C4'-P energy: -4.170 tors. eta vs tors. theta energy: -2.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -35.082036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.082036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.082036 (E_RNA) where: Base-Base interactions energy: -12.931 where: short stacking energy: -12.782 Base-Backbone interact. energy: -0.000 local terms energy: -22.151205 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -6.278 flat angles P-C4'-P energy: -2.254 tors. eta vs tors. theta energy: -1.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -52.978630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.978630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.978630 (E_RNA) where: Base-Base interactions energy: -25.426 where: short stacking energy: -25.426 Base-Backbone interact. energy: -0.000 local terms energy: -27.552284 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -6.029 flat angles P-C4'-P energy: -3.611 tors. eta vs tors. theta energy: -6.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -46.678343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.678343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.678343 (E_RNA) where: Base-Base interactions energy: -21.959 where: short stacking energy: -12.853 Base-Backbone interact. energy: -0.001 local terms energy: -24.718625 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -5.428 flat angles P-C4'-P energy: -2.161 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: 3, replica: 3 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -42.111194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.111194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.111194 (E_RNA) where: Base-Base interactions energy: -14.570 where: short stacking energy: -14.570 Base-Backbone interact. energy: -0.000 local terms energy: -27.541433 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -6.503 flat angles P-C4'-P energy: -4.924 tors. eta vs tors. theta energy: -4.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -43.365878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.365878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.365878 (E_RNA) where: Base-Base interactions energy: -19.628 where: short stacking energy: -19.628 Base-Backbone interact. energy: -0.116 local terms energy: -23.622147 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.758 flat angles P-C4'-P energy: -4.537 tors. eta vs tors. theta energy: -1.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -45.411600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.411600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.411600 (E_RNA) where: Base-Base interactions energy: -20.119 where: short stacking energy: -20.119 Base-Backbone interact. energy: -0.098 local terms energy: -25.194268 where: bonds (distance) C4'-P energy: -4.743 bonds (distance) P-C4' energy: -5.469 flat angles C4'-P-C4' energy: -6.286 flat angles P-C4'-P energy: -2.978 tors. eta vs tors. theta energy: -5.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -37.836136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.836136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.836136 (E_RNA) where: Base-Base interactions energy: -15.320 where: short stacking energy: -15.320 Base-Backbone interact. energy: -0.001 local terms energy: -22.515254 where: bonds (distance) C4'-P energy: -4.756 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -6.181 flat angles P-C4'-P energy: -4.206 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: 7, replica: 1 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -35.358492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.358492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.358492 (E_RNA) where: Base-Base interactions energy: -11.282 where: short stacking energy: -11.282 Base-Backbone interact. energy: -0.018 local terms energy: -24.059094 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.976 flat angles P-C4'-P energy: -4.701 tors. eta vs tors. theta energy: -1.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -34.158580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.158580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.158580 (E_RNA) where: Base-Base interactions energy: -16.007 where: short stacking energy: -16.007 Base-Backbone interact. energy: -0.040 local terms energy: -18.111288 where: bonds (distance) C4'-P energy: -3.973 bonds (distance) P-C4' energy: -5.080 flat angles C4'-P-C4' energy: -5.746 flat angles P-C4'-P energy: -1.079 tors. eta vs tors. theta energy: -2.233 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: 9, replica: 4 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -33.675002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.675002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.675002 (E_RNA) where: Base-Base interactions energy: -15.671 where: short stacking energy: -15.671 Base-Backbone interact. energy: -0.013 local terms energy: -17.990928 where: bonds (distance) C4'-P energy: -3.040 bonds (distance) P-C4' energy: -5.941 flat angles C4'-P-C4' energy: -4.545 flat angles P-C4'-P energy: -0.697 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: 10, replica: 9 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -38.234097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.234097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.234097 (E_RNA) where: Base-Base interactions energy: -19.706 where: short stacking energy: -19.706 Base-Backbone interact. energy: -0.170 local terms energy: -18.358472 where: bonds (distance) C4'-P energy: -4.160 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -4.786 flat angles P-C4'-P energy: -1.927 tors. eta vs tors. theta energy: -2.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -44.805475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.805475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.805475 (E_RNA) where: Base-Base interactions energy: -18.807 where: short stacking energy: -18.807 Base-Backbone interact. energy: -0.181 local terms energy: -25.816862 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -5.315 flat angles C4'-P-C4' energy: -4.061 flat angles P-C4'-P energy: -5.125 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: 2, replica: 7 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -44.808426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.808426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.808426 (E_RNA) where: Base-Base interactions energy: -19.535 where: short stacking energy: -19.535 Base-Backbone interact. energy: -0.003 local terms energy: -25.270171 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -5.354 flat angles P-C4'-P energy: -4.482 tors. eta vs tors. theta energy: -3.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -44.262707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.262707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.262707 (E_RNA) where: Base-Base interactions energy: -21.231 where: short stacking energy: -21.231 Base-Backbone interact. energy: -0.000 local terms energy: -23.031245 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -4.771 flat angles P-C4'-P energy: -4.306 tors. eta vs tors. theta energy: -4.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -44.099118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.099118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.099118 (E_RNA) where: Base-Base interactions energy: -18.725 where: short stacking energy: -18.725 Base-Backbone interact. energy: -0.000 local terms energy: -25.373633 where: bonds (distance) C4'-P energy: -5.724 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.737 flat angles P-C4'-P energy: -2.337 tors. eta vs tors. theta energy: -4.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -41.295133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.295133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.295133 (E_RNA) where: Base-Base interactions energy: -18.650 where: short stacking energy: -18.650 Base-Backbone interact. energy: -0.000 local terms energy: -22.644518 where: bonds (distance) C4'-P energy: -4.143 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.022 flat angles P-C4'-P energy: -2.007 tors. eta vs tors. theta energy: -3.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -38.956509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.956509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.956509 (E_RNA) where: Base-Base interactions energy: -18.881 where: short stacking energy: -16.392 Base-Backbone interact. energy: -0.002 local terms energy: -20.073679 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -4.840 flat angles C4'-P-C4' energy: -3.615 flat angles P-C4'-P energy: -2.770 tors. eta vs tors. theta energy: -3.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -36.652181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.652181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.652181 (E_RNA) where: Base-Base interactions energy: -18.336 where: short stacking energy: -18.336 Base-Backbone interact. energy: -0.001 local terms energy: -18.314891 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -4.677 flat angles C4'-P-C4' energy: -4.634 flat angles P-C4'-P energy: -1.891 tors. eta vs tors. theta energy: -1.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -38.026987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.026987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.026987 (E_RNA) where: Base-Base interactions energy: -13.691 where: short stacking energy: -13.691 Base-Backbone interact. energy: -0.079 local terms energy: -24.257449 where: bonds (distance) C4'-P energy: -4.959 bonds (distance) P-C4' energy: -5.892 flat angles C4'-P-C4' energy: -4.686 flat angles P-C4'-P energy: -5.060 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: 9, replica: 9 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -36.412687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.412687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.412687 (E_RNA) where: Base-Base interactions energy: -19.606 where: short stacking energy: -19.606 Base-Backbone interact. energy: -0.017 local terms energy: -16.789422 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -1.962 flat angles C4'-P-C4' energy: -3.471 flat angles P-C4'-P energy: -0.772 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: 10, replica: 4 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -32.434268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.434268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.434268 (E_RNA) where: Base-Base interactions energy: -13.890 where: short stacking energy: -10.223 Base-Backbone interact. energy: -0.247 local terms energy: -18.297086 where: bonds (distance) C4'-P energy: -3.522 bonds (distance) P-C4' energy: -4.751 flat angles C4'-P-C4' energy: -5.107 flat angles P-C4'-P energy: -3.913 tors. eta vs tors. theta energy: -1.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -46.813637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.813637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.813637 (E_RNA) where: Base-Base interactions energy: -24.032 where: short stacking energy: -17.147 Base-Backbone interact. energy: -0.052 local terms energy: -22.729138 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -5.130 flat angles P-C4'-P energy: -3.164 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: 2, replica: 5 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -41.934042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.934042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.934042 (E_RNA) where: Base-Base interactions energy: -19.854 where: short stacking energy: -19.854 Base-Backbone interact. energy: -0.000 local terms energy: -22.080011 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -3.929 flat angles P-C4'-P energy: -4.104 tors. eta vs tors. theta energy: -3.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -45.583437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.583437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.583437 (E_RNA) where: Base-Base interactions energy: -22.860 where: short stacking energy: -22.191 Base-Backbone interact. energy: -0.095 local terms energy: -22.628674 where: bonds (distance) C4'-P energy: -3.895 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.088 flat angles P-C4'-P energy: -4.388 tors. eta vs tors. theta energy: -3.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -39.646010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.646010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.646010 (E_RNA) where: Base-Base interactions energy: -17.224 where: short stacking energy: -13.579 Base-Backbone interact. energy: 0.877 local terms energy: -23.298384 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -4.889 flat angles P-C4'-P energy: -5.157 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: 5, replica: 10 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -41.759621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.759621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.759621 (E_RNA) where: Base-Base interactions energy: -18.022 where: short stacking energy: -18.022 Base-Backbone interact. energy: -0.000 local terms energy: -23.737699 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.012 flat angles P-C4'-P energy: -3.790 tors. eta vs tors. theta energy: -3.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -37.103392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.103392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.103392 (E_RNA) where: Base-Base interactions energy: -13.535 where: short stacking energy: -13.535 Base-Backbone interact. energy: -0.100 local terms energy: -23.468383 where: bonds (distance) C4'-P energy: -4.959 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -4.982 flat angles P-C4'-P energy: -4.219 tors. eta vs tors. theta energy: -2.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -39.764473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.764473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.764473 (E_RNA) where: Base-Base interactions energy: -17.389 where: short stacking energy: -17.389 Base-Backbone interact. energy: -0.027 local terms energy: -22.348989 where: bonds (distance) C4'-P energy: -2.972 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -3.682 flat angles P-C4'-P energy: -4.708 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: 8, replica: 9 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -36.998126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.998126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.998126 (E_RNA) where: Base-Base interactions energy: -15.996 where: short stacking energy: -15.996 Base-Backbone interact. energy: -0.002 local terms energy: -20.999959 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -4.936 flat angles P-C4'-P energy: -2.784 tors. eta vs tors. theta energy: -1.854 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: 1 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -32.976068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.976068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.976068 (E_RNA) where: Base-Base interactions energy: -11.504 where: short stacking energy: -11.504 Base-Backbone interact. energy: -0.050 local terms energy: -21.422316 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -6.358 flat angles P-C4'-P energy: -1.775 tors. eta vs tors. theta energy: -2.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -30.172599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.172599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.172599 (E_RNA) where: Base-Base interactions energy: -7.731 where: short stacking energy: -7.549 Base-Backbone interact. energy: -0.235 local terms energy: -22.205934 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -3.613 flat angles P-C4'-P energy: -5.241 tors. eta vs tors. theta energy: -0.496 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: 5 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -46.556967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.556967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.556967 (E_RNA) where: Base-Base interactions energy: -19.420 where: short stacking energy: -19.420 Base-Backbone interact. energy: -0.002 local terms energy: -27.135302 where: bonds (distance) C4'-P energy: -5.117 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.720 flat angles P-C4'-P energy: -5.390 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: 2, replica: 6 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -44.612700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.612700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.612700 (E_RNA) where: Base-Base interactions energy: -17.779 where: short stacking energy: -17.779 Base-Backbone interact. energy: -0.012 local terms energy: -26.821860 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -5.854 flat angles P-C4'-P energy: -4.972 tors. eta vs tors. theta energy: -4.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -51.156104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.156104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.156104 (E_RNA) where: Base-Base interactions energy: -25.547 where: short stacking energy: -25.547 Base-Backbone interact. energy: -0.000 local terms energy: -25.609161 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -4.888 flat angles P-C4'-P energy: -3.017 tors. eta vs tors. theta energy: -7.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -46.216304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.216304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.216304 (E_RNA) where: Base-Base interactions energy: -23.490 where: short stacking energy: -23.490 Base-Backbone interact. energy: -0.000 local terms energy: -22.725872 where: bonds (distance) C4'-P energy: -4.451 bonds (distance) P-C4' energy: -5.413 flat angles C4'-P-C4' energy: -5.716 flat angles P-C4'-P energy: -2.439 tors. eta vs tors. theta energy: -4.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -46.165012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.165012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.165012 (E_RNA) where: Base-Base interactions energy: -20.954 where: short stacking energy: -20.954 Base-Backbone interact. energy: -0.000 local terms energy: -25.211471 where: bonds (distance) C4'-P energy: -4.807 bonds (distance) P-C4' energy: -4.899 flat angles C4'-P-C4' energy: -5.898 flat angles P-C4'-P energy: -2.081 tors. eta vs tors. theta energy: -7.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -42.250431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.250431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.250431 (E_RNA) where: Base-Base interactions energy: -16.001 where: short stacking energy: -16.001 Base-Backbone interact. energy: -0.000 local terms energy: -26.249506 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.233 flat angles P-C4'-P energy: -5.259 tors. eta vs tors. theta energy: -2.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -45.235622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.235622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.235622 (E_RNA) where: Base-Base interactions energy: -19.156 where: short stacking energy: -19.156 Base-Backbone interact. energy: -0.000 local terms energy: -26.079161 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.252 flat angles P-C4'-P energy: -3.619 tors. eta vs tors. theta energy: -4.915 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: 8, replica: 2 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -38.916289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.916289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.916289 (E_RNA) where: Base-Base interactions energy: -16.531 where: short stacking energy: -16.531 Base-Backbone interact. energy: -0.000 local terms energy: -22.384869 where: bonds (distance) C4'-P energy: -4.471 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.278 flat angles P-C4'-P energy: -1.959 tors. eta vs tors. theta energy: -4.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -36.025498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.025498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.025498 (E_RNA) where: Base-Base interactions energy: -17.703 where: short stacking energy: -17.703 Base-Backbone interact. energy: -0.001 local terms energy: -18.321039 where: bonds (distance) C4'-P energy: -4.888 bonds (distance) P-C4' energy: -4.057 flat angles C4'-P-C4' energy: -4.420 flat angles P-C4'-P energy: -1.387 tors. eta vs tors. theta energy: -3.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -38.337000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.337000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.337000 (E_RNA) where: Base-Base interactions energy: -18.806 where: short stacking energy: -16.222 Base-Backbone interact. energy: -0.007 local terms energy: -19.524052 where: bonds (distance) C4'-P energy: -4.921 bonds (distance) P-C4' energy: -2.960 flat angles C4'-P-C4' energy: -4.031 flat angles P-C4'-P energy: -4.195 tors. eta vs tors. theta energy: -3.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -48.619030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.619030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.619030 (E_RNA) where: Base-Base interactions energy: -20.080 where: short stacking energy: -20.080 Base-Backbone interact. energy: -0.000 local terms energy: -28.538980 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -6.010 flat angles P-C4'-P energy: -5.282 tors. eta vs tors. theta energy: -5.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -46.871102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.871102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.871102 (E_RNA) where: Base-Base interactions energy: -21.801 where: short stacking energy: -21.801 Base-Backbone interact. energy: -0.004 local terms energy: -25.066085 where: bonds (distance) C4'-P energy: -4.823 bonds (distance) P-C4' energy: -5.469 flat angles C4'-P-C4' energy: -5.889 flat angles P-C4'-P energy: -4.210 tors. eta vs tors. theta energy: -4.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -43.666159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.666159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.666159 (E_RNA) where: Base-Base interactions energy: -19.051 where: short stacking energy: -19.051 Base-Backbone interact. energy: -0.001 local terms energy: -24.614672 where: bonds (distance) C4'-P energy: -4.434 bonds (distance) P-C4' energy: -5.209 flat angles C4'-P-C4' energy: -5.227 flat angles P-C4'-P energy: -4.111 tors. eta vs tors. theta energy: -5.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -43.724813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.724813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.724813 (E_RNA) where: Base-Base interactions energy: -20.377 where: short stacking energy: -20.377 Base-Backbone interact. energy: -0.000 local terms energy: -23.348011 where: bonds (distance) C4'-P energy: -4.515 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.538 flat angles P-C4'-P energy: -4.402 tors. eta vs tors. theta energy: -2.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -38.892965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.892965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.892965 (E_RNA) where: Base-Base interactions energy: -16.085 where: short stacking energy: -11.310 Base-Backbone interact. energy: -0.001 local terms energy: -22.806875 where: bonds (distance) C4'-P energy: -6.478 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -6.235 flat angles P-C4'-P energy: -0.202 tors. eta vs tors. theta energy: -3.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -43.042307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.042307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.042307 (E_RNA) where: Base-Base interactions energy: -18.617 where: short stacking energy: -18.617 Base-Backbone interact. energy: -0.019 local terms energy: -24.406716 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -5.699 flat angles C4'-P-C4' energy: -5.922 flat angles P-C4'-P energy: -3.993 tors. eta vs tors. theta energy: -4.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -40.217821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.217821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.217821 (E_RNA) where: Base-Base interactions energy: -19.080 where: short stacking energy: -19.080 Base-Backbone interact. energy: -0.000 local terms energy: -21.137387 where: bonds (distance) C4'-P energy: -3.704 bonds (distance) P-C4' energy: -5.279 flat angles C4'-P-C4' energy: -5.498 flat angles P-C4'-P energy: -2.162 tors. eta vs tors. theta energy: -4.493 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: 347 Temperature: 1.250000 Total energy: -35.105914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.105914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.105914 (E_RNA) where: Base-Base interactions energy: -13.802 where: short stacking energy: -13.802 Base-Backbone interact. energy: -0.002 local terms energy: -21.302102 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.640 flat angles P-C4'-P energy: -2.755 tors. eta vs tors. theta energy: -1.106 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: 2 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -31.710974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.710974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.710974 (E_RNA) where: Base-Base interactions energy: -14.307 where: short stacking energy: -12.547 Base-Backbone interact. energy: -0.174 local terms energy: -17.230694 where: bonds (distance) C4'-P energy: -4.399 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -4.516 flat angles P-C4'-P energy: -3.220 tors. eta vs tors. theta energy: 0.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -31.517875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.517875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.517875 (E_RNA) where: Base-Base interactions energy: -9.291 where: short stacking energy: -9.291 Base-Backbone interact. energy: -0.179 local terms energy: -22.048120 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -6.310 flat angles P-C4'-P energy: -3.505 tors. eta vs tors. theta energy: -0.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -45.899916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.899916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.899916 (E_RNA) where: Base-Base interactions energy: -21.498 where: short stacking energy: -21.498 Base-Backbone interact. energy: -0.001 local terms energy: -24.400668 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -5.018 flat angles C4'-P-C4' energy: -5.425 flat angles P-C4'-P energy: -3.490 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: 2, replica: 3 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -53.754442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.754442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.754442 (E_RNA) where: Base-Base interactions energy: -25.898 where: short stacking energy: -25.898 Base-Backbone interact. energy: -0.000 local terms energy: -27.856744 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -6.461 flat angles P-C4'-P energy: -2.869 tors. eta vs tors. theta energy: -7.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -46.610304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.610304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.610304 (E_RNA) where: Base-Base interactions energy: -26.604 where: short stacking energy: -20.076 Base-Backbone interact. energy: -0.088 local terms energy: -19.917686 where: bonds (distance) C4'-P energy: -3.771 bonds (distance) P-C4' energy: -3.547 flat angles C4'-P-C4' energy: -5.398 flat angles P-C4'-P energy: -4.694 tors. eta vs tors. theta energy: -2.509 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: 348 Temperature: 1.050000 Total energy: -42.401952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.401952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.401952 (E_RNA) where: Base-Base interactions energy: -17.425 where: short stacking energy: -17.425 Base-Backbone interact. energy: -0.000 local terms energy: -24.976482 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.479 flat angles P-C4'-P energy: -2.184 tors. eta vs tors. theta energy: -4.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -44.238040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.238040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.238040 (E_RNA) where: Base-Base interactions energy: -20.240 where: short stacking energy: -20.240 Base-Backbone interact. energy: -0.082 local terms energy: -23.916703 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -4.395 flat angles C4'-P-C4' energy: -5.834 flat angles P-C4'-P energy: -4.912 tors. eta vs tors. theta energy: -3.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -40.058613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.058613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.058613 (E_RNA) where: Base-Base interactions energy: -18.819 where: short stacking energy: -14.212 Base-Backbone interact. energy: -0.008 local terms energy: -21.231995 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -4.646 flat angles C4'-P-C4' energy: -5.063 flat angles P-C4'-P energy: -4.742 tors. eta vs tors. theta energy: -1.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -41.246879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.246879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.246879 (E_RNA) where: Base-Base interactions energy: -21.600 where: short stacking energy: -21.600 Base-Backbone interact. energy: -0.000 local terms energy: -19.646692 where: bonds (distance) C4'-P energy: -2.330 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -5.994 flat angles P-C4'-P energy: -2.621 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: 8, replica: 10 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -44.421836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.421836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.421836 (E_RNA) where: Base-Base interactions energy: -20.629 where: short stacking energy: -20.629 Base-Backbone interact. energy: -0.000 local terms energy: -23.792356 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -4.470 flat angles C4'-P-C4' energy: -4.327 flat angles P-C4'-P energy: -4.536 tors. eta vs tors. theta energy: -5.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -36.941767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.941767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.941767 (E_RNA) where: Base-Base interactions energy: -13.588 where: short stacking energy: -13.588 Base-Backbone interact. energy: -0.000 local terms energy: -23.354010 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.882 flat angles P-C4'-P energy: -3.071 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: 2 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -31.360196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.360196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.360196 (E_RNA) where: Base-Base interactions energy: -11.576 where: short stacking energy: -10.364 Base-Backbone interact. energy: -0.100 local terms energy: -19.684275 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -4.531 flat angles P-C4'-P energy: -3.191 tors. eta vs tors. theta energy: -0.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -46.551624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.551624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.551624 (E_RNA) where: Base-Base interactions energy: -20.547 where: short stacking energy: -20.547 Base-Backbone interact. energy: -0.029 local terms energy: -25.975227 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.784 flat angles P-C4'-P energy: -4.037 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: 2, replica: 8 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -63.856321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.856321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.856321 (E_RNA) where: Base-Base interactions energy: -40.149 where: short stacking energy: -20.904 Base-Backbone interact. energy: -0.003 local terms energy: -23.703770 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.364 flat angles C4'-P-C4' energy: -4.699 flat angles P-C4'-P energy: -4.092 tors. eta vs tors. theta energy: -2.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -37.250092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.250092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.250092 (E_RNA) where: Base-Base interactions energy: -11.963 where: short stacking energy: -11.963 Base-Backbone interact. energy: -0.010 local terms energy: -25.277415 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.309 flat angles P-C4'-P energy: -4.042 tors. eta vs tors. theta energy: -3.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -49.028482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.028482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.028482 (E_RNA) where: Base-Base interactions energy: -23.597 where: short stacking energy: -23.597 Base-Backbone interact. energy: -0.000 local terms energy: -25.431555 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.128 flat angles C4'-P-C4' energy: -4.262 flat angles P-C4'-P energy: -2.537 tors. eta vs tors. theta energy: -6.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -45.227066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.227066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.227066 (E_RNA) where: Base-Base interactions energy: -17.448 where: short stacking energy: -17.448 Base-Backbone interact. energy: -0.000 local terms energy: -27.778903 where: bonds (distance) C4'-P energy: -5.145 bonds (distance) P-C4' energy: -5.512 flat angles C4'-P-C4' energy: -5.554 flat angles P-C4'-P energy: -3.683 tors. eta vs tors. theta energy: -7.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -38.039546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.039546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.039546 (E_RNA) where: Base-Base interactions energy: -17.454 where: short stacking energy: -17.454 Base-Backbone interact. energy: -0.000 local terms energy: -20.584935 where: bonds (distance) C4'-P energy: -4.197 bonds (distance) P-C4' energy: -3.626 flat angles C4'-P-C4' energy: -6.346 flat angles P-C4'-P energy: -2.869 tors. eta vs tors. theta energy: -3.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -39.304702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.304702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.304702 (E_RNA) where: Base-Base interactions energy: -14.700 where: short stacking energy: -14.091 Base-Backbone interact. energy: -0.000 local terms energy: -24.604174 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.202 flat angles P-C4'-P energy: -3.973 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: 8, replica: 1 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -36.904952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.904952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.904952 (E_RNA) where: Base-Base interactions energy: -20.600 where: short stacking energy: -10.011 Base-Backbone interact. energy: -0.003 local terms energy: -16.301708 where: bonds (distance) C4'-P energy: -4.251 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -2.776 flat angles P-C4'-P energy: -1.565 tors. eta vs tors. theta energy: -2.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -33.249618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.249618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.249618 (E_RNA) where: Base-Base interactions energy: -8.659 where: short stacking energy: -8.659 Base-Backbone interact. energy: -0.000 local terms energy: -24.590043 where: bonds (distance) C4'-P energy: -3.058 bonds (distance) P-C4' energy: -5.576 flat angles C4'-P-C4' energy: -5.836 flat angles P-C4'-P energy: -4.345 tors. eta vs tors. theta energy: -5.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -38.359797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.359797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.359797 (E_RNA) where: Base-Base interactions energy: -22.516 where: short stacking energy: -9.699 Base-Backbone interact. energy: -0.036 local terms energy: -15.807051 where: bonds (distance) C4'-P energy: -3.725 bonds (distance) P-C4' energy: -6.104 flat angles C4'-P-C4' energy: -3.916 flat angles P-C4'-P energy: -3.447 tors. eta vs tors. theta energy: 1.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -67.584213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.584213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.584213 (E_RNA) where: Base-Base interactions energy: -42.738 where: short stacking energy: -19.114 Base-Backbone interact. energy: -0.007 local terms energy: -24.839060 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -6.033 flat angles P-C4'-P energy: -3.395 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: 2, replica: 5 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -47.428774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.428774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.428774 (E_RNA) where: Base-Base interactions energy: -21.214 where: short stacking energy: -21.214 Base-Backbone interact. energy: -0.000 local terms energy: -26.214488 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -6.658 flat angles P-C4'-P energy: -3.593 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: 3, replica: 3 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -42.363170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.363170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.363170 (E_RNA) where: Base-Base interactions energy: -19.756 where: short stacking energy: -9.671 Base-Backbone interact. energy: -0.491 local terms energy: -22.117011 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.110 flat angles P-C4'-P energy: -5.090 tors. eta vs tors. theta energy: 1.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -36.990825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.990825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.990825 (E_RNA) where: Base-Base interactions energy: -14.429 where: short stacking energy: -14.429 Base-Backbone interact. energy: -0.000 local terms energy: -22.561674 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.107 flat angles C4'-P-C4' energy: -4.740 flat angles P-C4'-P energy: -4.665 tors. eta vs tors. theta energy: -1.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -40.175403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.175403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.175403 (E_RNA) where: Base-Base interactions energy: -17.340 where: short stacking energy: -17.340 Base-Backbone interact. energy: -0.000 local terms energy: -22.835094 where: bonds (distance) C4'-P energy: -4.619 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -4.862 flat angles P-C4'-P energy: -5.107 tors. eta vs tors. theta energy: -2.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -34.783185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.783185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.783185 (E_RNA) where: Base-Base interactions energy: -12.779 where: short stacking energy: -12.779 Base-Backbone interact. energy: -0.000 local terms energy: -22.004023 where: bonds (distance) C4'-P energy: -3.034 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -6.165 flat angles P-C4'-P energy: -3.869 tors. eta vs tors. theta energy: -2.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -37.146523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.146523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.146523 (E_RNA) where: Base-Base interactions energy: -14.300 where: short stacking energy: -8.631 Base-Backbone interact. energy: -0.151 local terms energy: -22.695845 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -4.069 flat angles P-C4'-P energy: -4.383 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: 8, replica: 4 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -35.169703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.169703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.169703 (E_RNA) where: Base-Base interactions energy: -12.255 where: short stacking energy: -12.255 Base-Backbone interact. energy: -0.021 local terms energy: -22.893533 where: bonds (distance) C4'-P energy: -5.349 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.574 flat angles P-C4'-P energy: -3.196 tors. eta vs tors. theta energy: -2.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -32.372859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.372859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.372859 (E_RNA) where: Base-Base interactions energy: -14.255 where: short stacking energy: -14.255 Base-Backbone interact. energy: -0.005 local terms energy: -18.112385 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.357 flat angles C4'-P-C4' energy: 0.273 flat angles P-C4'-P energy: -1.322 tors. eta vs tors. theta energy: -4.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -30.189581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.189581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.189581 (E_RNA) where: Base-Base interactions energy: -10.612 where: short stacking energy: -10.612 Base-Backbone interact. energy: -0.000 local terms energy: -19.577693 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -3.849 flat angles P-C4'-P energy: -3.014 tors. eta vs tors. theta energy: -0.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -65.740709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.740709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.740709 (E_RNA) where: Base-Base interactions energy: -40.840 where: short stacking energy: -20.187 Base-Backbone interact. energy: -0.013 local terms energy: -24.887711 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -6.107 flat angles C4'-P-C4' energy: -5.963 flat angles P-C4'-P energy: -3.972 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: 2, replica: 5 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -45.792453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.792453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.792453 (E_RNA) where: Base-Base interactions energy: -21.607 where: short stacking energy: -21.607 Base-Backbone interact. energy: -0.001 local terms energy: -24.184530 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -4.264 flat angles P-C4'-P energy: -3.597 tors. eta vs tors. theta energy: -4.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -41.583290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.583290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.583290 (E_RNA) where: Base-Base interactions energy: -15.599 where: short stacking energy: -15.599 Base-Backbone interact. energy: 0.841 local terms energy: -26.825162 where: bonds (distance) C4'-P energy: -4.516 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.100 flat angles P-C4'-P energy: -5.438 tors. eta vs tors. theta energy: -5.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -39.854429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.854429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.854429 (E_RNA) where: Base-Base interactions energy: -20.858 where: short stacking energy: -12.530 Base-Backbone interact. energy: -0.232 local terms energy: -18.764348 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -3.518 flat angles C4'-P-C4' energy: -5.842 flat angles P-C4'-P energy: -2.756 tors. eta vs tors. theta energy: -1.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -32.084323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.084323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.084323 (E_RNA) where: Base-Base interactions energy: -12.052 where: short stacking energy: -12.052 Base-Backbone interact. energy: -0.007 local terms energy: -20.025819 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -6.240 flat angles P-C4'-P energy: -2.051 tors. eta vs tors. theta energy: -1.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -33.769269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.769269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.769269 (E_RNA) where: Base-Base interactions energy: -12.447 where: short stacking energy: -12.447 Base-Backbone interact. energy: -0.014 local terms energy: -21.308961 where: bonds (distance) C4'-P energy: -3.394 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.477 flat angles P-C4'-P energy: -4.247 tors. eta vs tors. theta energy: -1.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -40.872694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.872694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.872694 (E_RNA) where: Base-Base interactions energy: -20.511 where: short stacking energy: -12.564 Base-Backbone interact. energy: -0.007 local terms energy: -20.354381 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -3.867 flat angles P-C4'-P energy: -3.400 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: 8, replica: 2 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -37.143926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.143926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.143926 (E_RNA) where: Base-Base interactions energy: -21.091 where: short stacking energy: -21.091 Base-Backbone interact. energy: -0.000 local terms energy: -16.052618 where: bonds (distance) C4'-P energy: -2.322 bonds (distance) P-C4' energy: -1.684 flat angles C4'-P-C4' energy: -4.162 flat angles P-C4'-P energy: -2.533 tors. eta vs tors. theta energy: -5.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -30.759966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.759966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.759966 (E_RNA) where: Base-Base interactions energy: -11.401 where: short stacking energy: -11.401 Base-Backbone interact. energy: -0.067 local terms energy: -19.292224 where: bonds (distance) C4'-P energy: -4.639 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -4.008 flat angles P-C4'-P energy: -2.261 tors. eta vs tors. theta energy: -2.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -38.092122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.092122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.092122 (E_RNA) where: Base-Base interactions energy: -18.613 where: short stacking energy: -18.613 Base-Backbone interact. energy: -0.078 local terms energy: -19.401799 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -3.248 flat angles P-C4'-P energy: -3.966 tors. eta vs tors. theta energy: -1.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -65.276983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.276983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.276983 (E_RNA) where: Base-Base interactions energy: -44.574 where: short stacking energy: -14.307 Base-Backbone interact. energy: -1.243 local terms energy: -19.460742 where: bonds (distance) C4'-P energy: -4.221 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.260 flat angles P-C4'-P energy: -2.883 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: 2, replica: 5 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -46.560437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.560437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.560437 (E_RNA) where: Base-Base interactions energy: -18.778 where: short stacking energy: -18.778 Base-Backbone interact. energy: -0.000 local terms energy: -27.782568 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.035 flat angles P-C4'-P energy: -4.109 tors. eta vs tors. theta energy: -5.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -49.949719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.949719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.949719 (E_RNA) where: Base-Base interactions energy: -23.967 where: short stacking energy: -23.967 Base-Backbone interact. energy: -0.000 local terms energy: -25.983086 where: bonds (distance) C4'-P energy: -5.373 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -4.393 flat angles P-C4'-P energy: -3.299 tors. eta vs tors. theta energy: -6.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -44.239490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.239490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.239490 (E_RNA) where: Base-Base interactions energy: -20.517 where: short stacking energy: -20.517 Base-Backbone interact. energy: -0.000 local terms energy: -23.721994 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.010 flat angles P-C4'-P energy: -2.757 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: 5, replica: 1 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -37.474392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.474392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.474392 (E_RNA) where: Base-Base interactions energy: -16.104 where: short stacking energy: -13.758 Base-Backbone interact. energy: -0.003 local terms energy: -21.367032 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -2.760 flat angles P-C4'-P energy: -3.623 tors. eta vs tors. theta energy: -4.682 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: 6 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -36.597561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.597561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.597561 (E_RNA) where: Base-Base interactions energy: -12.674 where: short stacking energy: -12.674 Base-Backbone interact. energy: -0.000 local terms energy: -23.922917 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -6.081 flat angles P-C4'-P energy: -1.941 tors. eta vs tors. theta energy: -3.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -34.710761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.710761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.710761 (E_RNA) where: Base-Base interactions energy: -16.223 where: short stacking energy: -14.974 Base-Backbone interact. energy: -0.007 local terms energy: -18.480493 where: bonds (distance) C4'-P energy: -3.006 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -4.156 flat angles P-C4'-P energy: -4.780 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: 8, replica: 9 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -36.808398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.808398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.808398 (E_RNA) where: Base-Base interactions energy: -15.247 where: short stacking energy: -15.247 Base-Backbone interact. energy: -0.000 local terms energy: -21.561173 where: bonds (distance) C4'-P energy: -3.547 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -6.692 flat angles P-C4'-P energy: -3.368 tors. eta vs tors. theta energy: -1.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -36.625812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.625812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.625812 (E_RNA) where: Base-Base interactions energy: -15.368 where: short stacking energy: -15.368 Base-Backbone interact. energy: -0.000 local terms energy: -21.257930 where: bonds (distance) C4'-P energy: -2.537 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.237 flat angles P-C4'-P energy: -3.686 tors. eta vs tors. theta energy: -3.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -29.934094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.934094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.934094 (E_RNA) where: Base-Base interactions energy: -11.310 where: short stacking energy: -11.310 Base-Backbone interact. energy: -0.058 local terms energy: -18.567053 where: bonds (distance) C4'-P energy: -2.773 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -5.256 flat angles P-C4'-P energy: -3.492 tors. eta vs tors. theta energy: -0.639 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: 8 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -68.806623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.806623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.806623 (E_RNA) where: Base-Base interactions energy: -43.530 where: short stacking energy: -19.166 Base-Backbone interact. energy: -0.004 local terms energy: -25.272636 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.636 flat angles P-C4'-P energy: -3.597 tors. eta vs tors. theta energy: -3.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -51.109072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.109072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.109072 (E_RNA) where: Base-Base interactions energy: -23.379 where: short stacking energy: -23.379 Base-Backbone interact. energy: -0.000 local terms energy: -27.729844 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -4.832 flat angles P-C4'-P energy: -4.421 tors. eta vs tors. theta energy: -6.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -49.479753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.479753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.479753 (E_RNA) where: Base-Base interactions energy: -21.683 where: short stacking energy: -21.683 Base-Backbone interact. energy: -0.000 local terms energy: -27.796380 where: bonds (distance) C4'-P energy: -5.323 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -6.424 flat angles P-C4'-P energy: -4.134 tors. eta vs tors. theta energy: -5.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -44.327124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.327124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.327124 (E_RNA) where: Base-Base interactions energy: -19.422 where: short stacking energy: -19.422 Base-Backbone interact. energy: -0.000 local terms energy: -24.905414 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -5.497 flat angles P-C4'-P energy: -4.312 tors. eta vs tors. theta energy: -4.239 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: 5, replica: 3 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -39.104138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.104138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.104138 (E_RNA) where: Base-Base interactions energy: -13.715 where: short stacking energy: -13.715 Base-Backbone interact. energy: -0.000 local terms energy: -25.388811 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.106 flat angles P-C4'-P energy: -4.522 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: 6, replica: 2 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -34.040805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.040805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.040805 (E_RNA) where: Base-Base interactions energy: -13.969 where: short stacking energy: -12.007 Base-Backbone interact. energy: -0.082 local terms energy: -19.989419 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.539 flat angles P-C4'-P energy: -2.327 tors. eta vs tors. theta energy: 0.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -38.241089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.241089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.241089 (E_RNA) where: Base-Base interactions energy: -17.507 where: short stacking energy: -17.507 Base-Backbone interact. energy: -0.147 local terms energy: -20.586900 where: bonds (distance) C4'-P energy: -3.733 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -6.342 flat angles P-C4'-P energy: -2.689 tors. eta vs tors. theta energy: -2.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -38.478207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.478207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.478207 (E_RNA) where: Base-Base interactions energy: -22.999 where: short stacking energy: -8.706 Base-Backbone interact. energy: -0.014 local terms energy: -15.466011 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -1.358 flat angles P-C4'-P energy: -0.965 tors. eta vs tors. theta energy: -1.854 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: 353 Temperature: 1.300000 Total energy: -43.332023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.332023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.332023 (E_RNA) where: Base-Base interactions energy: -18.170 where: short stacking energy: -18.170 Base-Backbone interact. energy: -0.000 local terms energy: -25.161722 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.309 flat angles P-C4'-P energy: -3.335 tors. eta vs tors. theta energy: -3.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -35.123175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.123175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.123175 (E_RNA) where: Base-Base interactions energy: -16.683 where: short stacking energy: -16.683 Base-Backbone interact. energy: -0.000 local terms energy: -18.440353 where: bonds (distance) C4'-P energy: -3.787 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -4.322 flat angles P-C4'-P energy: -2.739 tors. eta vs tors. theta energy: -2.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -65.139939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.139939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.139939 (E_RNA) where: Base-Base interactions energy: -41.411 where: short stacking energy: -18.146 Base-Backbone interact. energy: -0.483 local terms energy: -23.246017 where: bonds (distance) C4'-P energy: -4.400 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.153 flat angles P-C4'-P energy: -5.149 tors. eta vs tors. theta energy: -1.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -46.038669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.038669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.038669 (E_RNA) where: Base-Base interactions energy: -22.769 where: short stacking energy: -22.769 Base-Backbone interact. energy: -0.000 local terms energy: -23.269846 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.809 flat angles P-C4'-P energy: -3.825 tors. eta vs tors. theta energy: -4.775 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: 1 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -39.932730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.932730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.932730 (E_RNA) where: Base-Base interactions energy: -15.220 where: short stacking energy: -15.220 Base-Backbone interact. energy: -0.018 local terms energy: -24.694381 where: bonds (distance) C4'-P energy: -5.055 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -6.167 flat angles P-C4'-P energy: -3.554 tors. eta vs tors. theta energy: -5.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -43.805276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.805276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.805276 (E_RNA) where: Base-Base interactions energy: -21.250 where: short stacking energy: -17.950 Base-Backbone interact. energy: -0.005 local terms energy: -22.549985 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -3.652 flat angles P-C4'-P energy: -3.238 tors. eta vs tors. theta energy: -2.539 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: 354 Temperature: 1.100000 Total energy: -49.571487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.571487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.571487 (E_RNA) where: Base-Base interactions energy: -27.402 where: short stacking energy: -11.029 Base-Backbone interact. energy: -0.027 local terms energy: -22.142898 where: bonds (distance) C4'-P energy: -5.427 bonds (distance) P-C4' energy: -4.463 flat angles C4'-P-C4' energy: -6.225 flat angles P-C4'-P energy: -4.610 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: 6, replica: 3 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -40.033611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.033611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.033611 (E_RNA) where: Base-Base interactions energy: -15.641 where: short stacking energy: -15.641 Base-Backbone interact. energy: -0.000 local terms energy: -24.391934 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -4.199 flat angles C4'-P-C4' energy: -4.317 flat angles P-C4'-P energy: -4.201 tors. eta vs tors. theta energy: -6.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -40.447623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.447623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.447623 (E_RNA) where: Base-Base interactions energy: -18.094 where: short stacking energy: -18.094 Base-Backbone interact. energy: -0.006 local terms energy: -22.347231 where: bonds (distance) C4'-P energy: -3.724 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.948 flat angles P-C4'-P energy: -2.750 tors. eta vs tors. theta energy: -4.021 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: 6 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -35.906656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.906656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.906656 (E_RNA) where: Base-Base interactions energy: -11.608 where: short stacking energy: -11.608 Base-Backbone interact. energy: -0.000 local terms energy: -24.298286 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.839 flat angles P-C4'-P energy: -0.916 tors. eta vs tors. theta energy: -4.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -36.815827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.815827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.815827 (E_RNA) where: Base-Base interactions energy: -17.070 where: short stacking energy: -14.902 Base-Backbone interact. energy: -0.010 local terms energy: -19.736034 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.203 flat angles C4'-P-C4' energy: -4.806 flat angles P-C4'-P energy: -0.973 tors. eta vs tors. theta energy: -2.671 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: 354 Temperature: 1.350000 Total energy: -33.456171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.456171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.456171 (E_RNA) where: Base-Base interactions energy: -11.901 where: short stacking energy: -11.901 Base-Backbone interact. energy: -0.001 local terms energy: -21.553710 where: bonds (distance) C4'-P energy: -5.891 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.208 flat angles P-C4'-P energy: -3.806 tors. eta vs tors. theta energy: -1.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -63.697752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.697752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.697752 (E_RNA) where: Base-Base interactions energy: -41.131 where: short stacking energy: -21.202 Base-Backbone interact. energy: -0.011 local terms energy: -22.556039 where: bonds (distance) C4'-P energy: -4.872 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.968 flat angles P-C4'-P energy: -3.184 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: 2, replica: 7 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -54.525688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.525688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.525688 (E_RNA) where: Base-Base interactions energy: -26.040 where: short stacking energy: -26.040 Base-Backbone interact. energy: -0.000 local terms energy: -28.485857 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.300 flat angles P-C4'-P energy: -4.372 tors. eta vs tors. theta energy: -7.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -43.905131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.905131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.905131 (E_RNA) where: Base-Base interactions energy: -21.841 where: short stacking energy: -18.856 Base-Backbone interact. energy: -0.000 local terms energy: -22.064008 where: bonds (distance) C4'-P energy: -3.688 bonds (distance) P-C4' energy: -5.261 flat angles C4'-P-C4' energy: -4.761 flat angles P-C4'-P energy: -4.185 tors. eta vs tors. theta energy: -4.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -42.516832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.516832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.516832 (E_RNA) where: Base-Base interactions energy: -15.849 where: short stacking energy: -15.849 Base-Backbone interact. energy: -0.000 local terms energy: -26.667856 where: bonds (distance) C4'-P energy: -4.756 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -6.270 flat angles P-C4'-P energy: -4.846 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: 5, replica: 5 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -41.628937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.628937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.628937 (E_RNA) where: Base-Base interactions energy: -18.144 where: short stacking energy: -18.144 Base-Backbone interact. energy: -0.000 local terms energy: -23.485169 where: bonds (distance) C4'-P energy: -4.665 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.464 flat angles P-C4'-P energy: -2.716 tors. eta vs tors. theta energy: -5.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -36.092375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.092375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.092375 (E_RNA) where: Base-Base interactions energy: -16.834 where: short stacking energy: -16.834 Base-Backbone interact. energy: -0.053 local terms energy: -19.204984 where: bonds (distance) C4'-P energy: -3.725 bonds (distance) P-C4' energy: -4.677 flat angles C4'-P-C4' energy: -4.080 flat angles P-C4'-P energy: -2.595 tors. eta vs tors. theta energy: -4.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -37.520161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.520161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.520161 (E_RNA) where: Base-Base interactions energy: -13.853 where: short stacking energy: -13.853 Base-Backbone interact. energy: -0.000 local terms energy: -23.666817 where: bonds (distance) C4'-P energy: -5.117 bonds (distance) P-C4' energy: -5.318 flat angles C4'-P-C4' energy: -5.901 flat angles P-C4'-P energy: -4.609 tors. eta vs tors. theta energy: -2.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -35.877868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.877868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.877868 (E_RNA) where: Base-Base interactions energy: -12.318 where: short stacking energy: -12.318 Base-Backbone interact. energy: -0.015 local terms energy: -23.544858 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -4.999 flat angles P-C4'-P energy: -4.200 tors. eta vs tors. theta energy: -1.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -32.443269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.443269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.443269 (E_RNA) where: Base-Base interactions energy: -10.632 where: short stacking energy: -10.632 Base-Backbone interact. energy: -0.036 local terms energy: -21.775123 where: bonds (distance) C4'-P energy: -4.727 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -6.303 flat angles P-C4'-P energy: -2.356 tors. eta vs tors. theta energy: -1.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -32.104248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.104248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.104248 (E_RNA) where: Base-Base interactions energy: -13.784 where: short stacking energy: -13.784 Base-Backbone interact. energy: -0.068 local terms energy: -18.252360 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -4.304 flat angles P-C4'-P energy: -3.675 tors. eta vs tors. theta energy: -0.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -66.736058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.736058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.736058 (E_RNA) where: Base-Base interactions energy: -43.581 where: short stacking energy: -19.469 Base-Backbone interact. energy: -0.615 local terms energy: -22.540143 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -4.600 flat angles P-C4'-P energy: -4.268 tors. eta vs tors. theta energy: -3.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -49.873945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.873945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.873945 (E_RNA) where: Base-Base interactions energy: -21.171 where: short stacking energy: -21.171 Base-Backbone interact. energy: -0.000 local terms energy: -28.703284 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.922 flat angles P-C4'-P energy: -3.152 tors. eta vs tors. theta energy: -7.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -42.925599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.925599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.925599 (E_RNA) where: Base-Base interactions energy: -19.325 where: short stacking energy: -19.325 Base-Backbone interact. energy: -0.001 local terms energy: -23.599851 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -6.041 flat angles P-C4'-P energy: -1.350 tors. eta vs tors. theta energy: -4.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -48.816195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.816195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.816195 (E_RNA) where: Base-Base interactions energy: -21.079 where: short stacking energy: -21.079 Base-Backbone interact. energy: -0.000 local terms energy: -27.737076 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -5.150 flat angles C4'-P-C4' energy: -6.129 flat angles P-C4'-P energy: -4.057 tors. eta vs tors. theta energy: -6.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -40.283137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.283137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.283137 (E_RNA) where: Base-Base interactions energy: -18.004 where: short stacking energy: -17.220 Base-Backbone interact. energy: -0.754 local terms energy: -21.525389 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.696 flat angles P-C4'-P energy: -2.465 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: 6, replica: 5 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -38.499077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.499077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.499077 (E_RNA) where: Base-Base interactions energy: -15.773 where: short stacking energy: -15.773 Base-Backbone interact. energy: -0.003 local terms energy: -22.722315 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -4.205 flat angles C4'-P-C4' energy: -5.399 flat angles P-C4'-P energy: -5.182 tors. eta vs tors. theta energy: -1.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -39.876008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.876008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.876008 (E_RNA) where: Base-Base interactions energy: -19.335 where: short stacking energy: -19.335 Base-Backbone interact. energy: -0.000 local terms energy: -20.540860 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -2.488 flat angles P-C4'-P energy: -3.304 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: 8, replica: 3 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -34.367257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.367257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.367257 (E_RNA) where: Base-Base interactions energy: -16.079 where: short stacking energy: -11.179 Base-Backbone interact. energy: -0.093 local terms energy: -18.194958 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -5.674 flat angles C4'-P-C4' energy: -3.692 flat angles P-C4'-P energy: 0.185 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: 9 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -37.309150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.309150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.309150 (E_RNA) where: Base-Base interactions energy: -16.635 where: short stacking energy: -16.635 Base-Backbone interact. energy: -0.000 local terms energy: -20.673396 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -5.083 flat angles C4'-P-C4' energy: -4.786 flat angles P-C4'-P energy: -2.602 tors. eta vs tors. theta energy: -2.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -34.249981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.249981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.249981 (E_RNA) where: Base-Base interactions energy: -18.114 where: short stacking energy: -8.942 Base-Backbone interact. energy: -0.034 local terms energy: -16.101621 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -3.218 flat angles C4'-P-C4' energy: -3.002 flat angles P-C4'-P energy: -4.104 tors. eta vs tors. theta energy: -0.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -64.293661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.293661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.293661 (E_RNA) where: Base-Base interactions energy: -40.798 where: short stacking energy: -18.338 Base-Backbone interact. energy: -0.475 local terms energy: -23.020628 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.359 flat angles P-C4'-P energy: -3.188 tors. eta vs tors. theta energy: -2.215 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: 2 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -48.181910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.181910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.181910 (E_RNA) where: Base-Base interactions energy: -23.380 where: short stacking energy: -12.733 Base-Backbone interact. energy: -0.565 local terms energy: -24.237300 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -4.920 flat angles P-C4'-P energy: -3.862 tors. eta vs tors. theta energy: -3.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -52.977134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.977134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.977134 (E_RNA) where: Base-Base interactions energy: -26.031 where: short stacking energy: -18.493 Base-Backbone interact. energy: -0.090 local terms energy: -26.856103 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -6.696 flat angles P-C4'-P energy: -4.809 tors. eta vs tors. theta energy: -3.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -45.303684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.303684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.303684 (E_RNA) where: Base-Base interactions energy: -20.968 where: short stacking energy: -20.968 Base-Backbone interact. energy: -0.000 local terms energy: -24.335860 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -4.917 flat angles C4'-P-C4' energy: -4.643 flat angles P-C4'-P energy: -3.098 tors. eta vs tors. theta energy: -5.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -34.347143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.347143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.347143 (E_RNA) where: Base-Base interactions energy: -10.218 where: short stacking energy: -10.218 Base-Backbone interact. energy: -0.168 local terms energy: -23.960741 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -5.871 flat angles C4'-P-C4' energy: -5.298 flat angles P-C4'-P energy: -4.993 tors. eta vs tors. theta energy: -2.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -38.201179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.201179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.201179 (E_RNA) where: Base-Base interactions energy: -13.406 where: short stacking energy: -13.406 Base-Backbone interact. energy: -0.000 local terms energy: -24.795200 where: bonds (distance) C4'-P energy: -4.115 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.746 flat angles P-C4'-P energy: -5.222 tors. eta vs tors. theta energy: -2.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -34.247490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.247490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.247490 (E_RNA) where: Base-Base interactions energy: -12.912 where: short stacking energy: -12.912 Base-Backbone interact. energy: -0.000 local terms energy: -21.335436 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -5.152 flat angles P-C4'-P energy: -2.431 tors. eta vs tors. theta energy: -2.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -34.461244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.461244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.461244 (E_RNA) where: Base-Base interactions energy: -12.599 where: short stacking energy: -12.599 Base-Backbone interact. energy: -0.030 local terms energy: -21.832175 where: bonds (distance) C4'-P energy: -3.966 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.769 flat angles P-C4'-P energy: -3.871 tors. eta vs tors. theta energy: -1.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -36.404946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.404946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.404946 (E_RNA) where: Base-Base interactions energy: -14.356 where: short stacking energy: -13.720 Base-Backbone interact. energy: -0.102 local terms energy: -21.946610 where: bonds (distance) C4'-P energy: -4.656 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -6.184 flat angles P-C4'-P energy: -3.454 tors. eta vs tors. theta energy: -1.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -35.868457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.868457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.868457 (E_RNA) where: Base-Base interactions energy: -18.558 where: short stacking energy: -18.558 Base-Backbone interact. energy: -0.086 local terms energy: -17.224788 where: bonds (distance) C4'-P energy: -2.757 bonds (distance) P-C4' energy: -5.018 flat angles C4'-P-C4' energy: -2.627 flat angles P-C4'-P energy: -4.829 tors. eta vs tors. theta energy: -1.993 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: 1, replica: 8 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -62.589786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.589786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.589786 (E_RNA) where: Base-Base interactions energy: -39.035 where: short stacking energy: -19.009 Base-Backbone interact. energy: -0.015 local terms energy: -23.539204 where: bonds (distance) C4'-P energy: -4.877 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.728 flat angles P-C4'-P energy: -4.845 tors. eta vs tors. theta energy: -1.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -45.717999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.717999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.717999 (E_RNA) where: Base-Base interactions energy: -19.818 where: short stacking energy: -19.818 Base-Backbone interact. energy: -0.000 local terms energy: -25.900242 where: bonds (distance) C4'-P energy: -4.983 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.307 flat angles P-C4'-P energy: -4.508 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: 3, replica: 10 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -49.094279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.094279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.094279 (E_RNA) where: Base-Base interactions energy: -24.669 where: short stacking energy: -24.669 Base-Backbone interact. energy: -0.000 local terms energy: -24.425644 where: bonds (distance) C4'-P energy: -3.867 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -4.202 flat angles P-C4'-P energy: -1.891 tors. eta vs tors. theta energy: -7.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -47.951955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.951955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.951955 (E_RNA) where: Base-Base interactions energy: -23.253 where: short stacking energy: -11.299 Base-Backbone interact. energy: -0.690 local terms energy: -24.009051 where: bonds (distance) C4'-P energy: -4.761 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -5.715 flat angles P-C4'-P energy: -3.925 tors. eta vs tors. theta energy: -2.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -39.423980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.423980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.423980 (E_RNA) where: Base-Base interactions energy: -17.689 where: short stacking energy: -17.689 Base-Backbone interact. energy: -0.088 local terms energy: -21.646376 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -3.261 flat angles P-C4'-P energy: -3.202 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: 6, replica: 1 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -46.399726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.399726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.399726 (E_RNA) where: Base-Base interactions energy: -26.704 where: short stacking energy: -17.223 Base-Backbone interact. energy: -0.001 local terms energy: -19.694921 where: bonds (distance) C4'-P energy: -4.983 bonds (distance) P-C4' energy: -3.932 flat angles C4'-P-C4' energy: -3.934 flat angles P-C4'-P energy: -0.418 tors. eta vs tors. theta energy: -6.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -35.667378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.667378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.667378 (E_RNA) where: Base-Base interactions energy: -14.539 where: short stacking energy: -14.539 Base-Backbone interact. energy: -0.000 local terms energy: -21.128021 where: bonds (distance) C4'-P energy: -4.980 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.500 flat angles P-C4'-P energy: -3.849 tors. eta vs tors. theta energy: -0.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -44.041055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.041055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.041055 (E_RNA) where: Base-Base interactions energy: -23.061 where: short stacking energy: -23.061 Base-Backbone interact. energy: -0.000 local terms energy: -20.980336 where: bonds (distance) C4'-P energy: -4.703 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -5.194 flat angles P-C4'-P energy: 0.380 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: 9, replica: 6 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -32.983998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.983998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.983998 (E_RNA) where: Base-Base interactions energy: -16.328 where: short stacking energy: -16.328 Base-Backbone interact. energy: 0.610 local terms energy: -17.265982 where: bonds (distance) C4'-P energy: -1.313 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -6.467 flat angles P-C4'-P energy: -1.925 tors. eta vs tors. theta energy: -1.838 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: 10, replica: 3 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -35.138689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.138689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.138689 (E_RNA) where: Base-Base interactions energy: -15.527 where: short stacking energy: -15.527 Base-Backbone interact. energy: -0.033 local terms energy: -19.578728 where: bonds (distance) C4'-P energy: -5.244 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -2.782 flat angles P-C4'-P energy: -3.691 tors. eta vs tors. theta energy: -2.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -68.573307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.573307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.573307 (E_RNA) where: Base-Base interactions energy: -42.380 where: short stacking energy: -18.273 Base-Backbone interact. energy: -0.623 local terms energy: -25.570544 where: bonds (distance) C4'-P energy: -4.409 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.681 flat angles P-C4'-P energy: -4.875 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: 2, replica: 10 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -43.915440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.915440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.915440 (E_RNA) where: Base-Base interactions energy: -18.766 where: short stacking energy: -13.656 Base-Backbone interact. energy: -0.027 local terms energy: -25.122888 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.873 flat angles P-C4'-P energy: -4.180 tors. eta vs tors. theta energy: -1.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -49.952234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.952234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.952234 (E_RNA) where: Base-Base interactions energy: -21.325 where: short stacking energy: -21.325 Base-Backbone interact. energy: -0.000 local terms energy: -28.626756 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.604 flat angles P-C4'-P energy: -3.979 tors. eta vs tors. theta energy: -7.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -51.470827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.470827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.470827 (E_RNA) where: Base-Base interactions energy: -23.817 where: short stacking energy: -23.817 Base-Backbone interact. energy: -0.000 local terms energy: -27.653320 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -4.460 flat angles C4'-P-C4' energy: -6.207 flat angles P-C4'-P energy: -3.581 tors. eta vs tors. theta energy: -7.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -40.244848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.244848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.244848 (E_RNA) where: Base-Base interactions energy: -15.414 where: short stacking energy: -15.414 Base-Backbone interact. energy: -0.000 local terms energy: -24.830425 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -4.837 flat angles P-C4'-P energy: -2.219 tors. eta vs tors. theta energy: -5.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -37.688555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.688555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.688555 (E_RNA) where: Base-Base interactions energy: -13.643 where: short stacking energy: -13.643 Base-Backbone interact. energy: -0.000 local terms energy: -24.045151 where: bonds (distance) C4'-P energy: -5.063 bonds (distance) P-C4' energy: -5.512 flat angles C4'-P-C4' energy: -4.420 flat angles P-C4'-P energy: -4.239 tors. eta vs tors. theta energy: -4.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -36.806435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.806435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.806435 (E_RNA) where: Base-Base interactions energy: -15.319 where: short stacking energy: -15.319 Base-Backbone interact. energy: -0.027 local terms energy: -21.461265 where: bonds (distance) C4'-P energy: -4.264 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.515 flat angles P-C4'-P energy: -3.745 tors. eta vs tors. theta energy: -0.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -32.364030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.364030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.364030 (E_RNA) where: Base-Base interactions energy: -10.778 where: short stacking energy: -4.257 Base-Backbone interact. energy: -0.453 local terms energy: -21.132702 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -5.614 flat angles P-C4'-P energy: -2.589 tors. eta vs tors. theta energy: -1.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -32.733791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.733791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.733791 (E_RNA) where: Base-Base interactions energy: -13.020 where: short stacking energy: -13.020 Base-Backbone interact. energy: -0.097 local terms energy: -19.616373 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -3.914 flat angles C4'-P-C4' energy: -5.883 flat angles P-C4'-P energy: -3.068 tors. eta vs tors. theta energy: -1.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -36.477875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.477875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.477875 (E_RNA) where: Base-Base interactions energy: -9.767 where: short stacking energy: -9.767 Base-Backbone interact. energy: -0.001 local terms energy: -26.709617 where: bonds (distance) C4'-P energy: -4.959 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -6.236 flat angles P-C4'-P energy: -4.214 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: 1, replica: 10 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -56.598912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.598912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.598912 (E_RNA) where: Base-Base interactions energy: -28.064 where: short stacking energy: -28.064 Base-Backbone interact. energy: -0.000 local terms energy: -28.534838 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -4.478 flat angles P-C4'-P energy: -4.629 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: 2, replica: 8 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -67.908382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.908382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.908382 (E_RNA) where: Base-Base interactions energy: -42.810 where: short stacking energy: -20.469 Base-Backbone interact. energy: -0.731 local terms energy: -24.367903 where: bonds (distance) C4'-P energy: -4.285 bonds (distance) P-C4' energy: -5.089 flat angles C4'-P-C4' energy: -5.713 flat angles P-C4'-P energy: -5.423 tors. eta vs tors. theta energy: -3.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -45.052142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.052142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.052142 (E_RNA) where: Base-Base interactions energy: -20.801 where: short stacking energy: -20.801 Base-Backbone interact. energy: -0.000 local terms energy: -24.251537 where: bonds (distance) C4'-P energy: -1.523 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -6.014 flat angles P-C4'-P energy: -3.839 tors. eta vs tors. theta energy: -6.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -42.772328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.772328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.772328 (E_RNA) where: Base-Base interactions energy: -16.342 where: short stacking energy: -16.342 Base-Backbone interact. energy: -0.000 local terms energy: -26.430731 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -4.359 flat angles P-C4'-P energy: -4.573 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: 5, replica: 9 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -41.358464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.358464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.358464 (E_RNA) where: Base-Base interactions energy: -17.522 where: short stacking energy: -17.522 Base-Backbone interact. energy: -0.000 local terms energy: -23.836499 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -5.995 flat angles C4'-P-C4' energy: -4.967 flat angles P-C4'-P energy: -3.961 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: 6, replica: 7 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -37.056264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.056264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.056264 (E_RNA) where: Base-Base interactions energy: -14.315 where: short stacking energy: -14.315 Base-Backbone interact. energy: -0.000 local terms energy: -22.741579 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -5.657 flat angles P-C4'-P energy: -3.916 tors. eta vs tors. theta energy: -3.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -39.082066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.082066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.082066 (E_RNA) where: Base-Base interactions energy: -19.273 where: short stacking energy: -12.499 Base-Backbone interact. energy: -0.150 local terms energy: -19.658408 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -6.557 flat angles P-C4'-P energy: 0.160 tors. eta vs tors. theta energy: -1.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -34.488756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.488756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.488756 (E_RNA) where: Base-Base interactions energy: -13.453 where: short stacking energy: -13.453 Base-Backbone interact. energy: -0.000 local terms energy: -21.035708 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -5.315 flat angles P-C4'-P energy: 0.715 tors. eta vs tors. theta energy: -4.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -39.072037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.072037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.072037 (E_RNA) where: Base-Base interactions energy: -18.554 where: short stacking energy: -18.554 Base-Backbone interact. energy: -0.000 local terms energy: -20.517981 where: bonds (distance) C4'-P energy: -2.909 bonds (distance) P-C4' energy: -4.393 flat angles C4'-P-C4' energy: -4.668 flat angles P-C4'-P energy: -2.847 tors. eta vs tors. theta energy: -5.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -45.032033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.032033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.032033 (E_RNA) where: Base-Base interactions energy: -20.935 where: short stacking energy: -20.935 Base-Backbone interact. energy: -0.000 local terms energy: -24.096925 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -3.854 flat angles P-C4'-P energy: -3.059 tors. eta vs tors. theta energy: -5.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -44.648921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.648921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.648921 (E_RNA) where: Base-Base interactions energy: -20.144 where: short stacking energy: -20.144 Base-Backbone interact. energy: -0.019 local terms energy: -24.485658 where: bonds (distance) C4'-P energy: -3.882 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -6.343 flat angles P-C4'-P energy: -4.483 tors. eta vs tors. theta energy: -3.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -66.656382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.656382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.656382 (E_RNA) where: Base-Base interactions energy: -41.194 where: short stacking energy: -18.080 Base-Backbone interact. energy: -0.552 local terms energy: -24.911065 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.896 flat angles P-C4'-P energy: -4.102 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: 3, replica: 4 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -40.142595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.142595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.142595 (E_RNA) where: Base-Base interactions energy: -18.022 where: short stacking energy: -14.168 Base-Backbone interact. energy: -0.002 local terms energy: -22.118416 where: bonds (distance) C4'-P energy: -4.731 bonds (distance) P-C4' energy: -5.054 flat angles C4'-P-C4' energy: -4.429 flat angles P-C4'-P energy: -3.576 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: 4, replica: 9 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -40.231701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.231701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.231701 (E_RNA) where: Base-Base interactions energy: -16.140 where: short stacking energy: -16.140 Base-Backbone interact. energy: -0.000 local terms energy: -24.091119 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -4.988 flat angles C4'-P-C4' energy: -5.612 flat angles P-C4'-P energy: -4.885 tors. eta vs tors. theta energy: -2.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -38.431664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.431664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.431664 (E_RNA) where: Base-Base interactions energy: -16.245 where: short stacking energy: -16.245 Base-Backbone interact. energy: -0.000 local terms energy: -22.186507 where: bonds (distance) C4'-P energy: -4.619 bonds (distance) P-C4' energy: -4.290 flat angles C4'-P-C4' energy: -5.744 flat angles P-C4'-P energy: -2.469 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: 6, replica: 6 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -38.162234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.162234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.162234 (E_RNA) where: Base-Base interactions energy: -17.129 where: short stacking energy: -14.332 Base-Backbone interact. energy: -0.303 local terms energy: -20.729899 where: bonds (distance) C4'-P energy: -4.499 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.069 flat angles P-C4'-P energy: -4.250 tors. eta vs tors. theta energy: -0.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -35.547270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.547270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.547270 (E_RNA) where: Base-Base interactions energy: -15.783 where: short stacking energy: -12.794 Base-Backbone interact. energy: -0.000 local terms energy: -19.763986 where: bonds (distance) C4'-P energy: -3.564 bonds (distance) P-C4' energy: -2.198 flat angles C4'-P-C4' energy: -4.859 flat angles P-C4'-P energy: -4.949 tors. eta vs tors. theta energy: -4.194 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: 5 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -42.795503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.795503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.795503 (E_RNA) where: Base-Base interactions energy: -17.388 where: short stacking energy: -17.388 Base-Backbone interact. energy: -0.000 local terms energy: -25.407561 where: bonds (distance) C4'-P energy: -3.680 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.617 flat angles P-C4'-P energy: -5.227 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: 9, replica: 1 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -33.892309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.892309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.892309 (E_RNA) where: Base-Base interactions energy: -10.692 where: short stacking energy: -8.830 Base-Backbone interact. energy: -0.502 local terms energy: -22.697829 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -4.870 flat angles P-C4'-P energy: -4.268 tors. eta vs tors. theta energy: -2.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -37.573238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.573238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.573238 (E_RNA) where: Base-Base interactions energy: -13.426 where: short stacking energy: -13.426 Base-Backbone interact. energy: -0.000 local terms energy: -24.147155 where: bonds (distance) C4'-P energy: -5.286 bonds (distance) P-C4' energy: -4.850 flat angles C4'-P-C4' energy: -5.179 flat angles P-C4'-P energy: -2.741 tors. eta vs tors. theta energy: -6.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -65.584230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.584230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.584230 (E_RNA) where: Base-Base interactions energy: -40.636 where: short stacking energy: -18.724 Base-Backbone interact. energy: -0.186 local terms energy: -24.762088 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -6.271 flat angles P-C4'-P energy: -4.055 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: 2, replica: 10 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -44.601210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.601210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.601210 (E_RNA) where: Base-Base interactions energy: -17.945 where: short stacking energy: -17.945 Base-Backbone interact. energy: -0.000 local terms energy: -26.656225 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -5.247 flat angles P-C4'-P energy: -5.526 tors. eta vs tors. theta energy: -3.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -38.428112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.428112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.428112 (E_RNA) where: Base-Base interactions energy: -18.891 where: short stacking energy: -13.524 Base-Backbone interact. energy: -0.100 local terms energy: -19.437965 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -4.319 flat angles P-C4'-P energy: -1.975 tors. eta vs tors. theta energy: -0.562 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: 4 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -49.878988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.878988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.878988 (E_RNA) where: Base-Base interactions energy: -22.918 where: short stacking energy: -22.918 Base-Backbone interact. energy: -0.000 local terms energy: -26.961028 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -5.968 flat angles P-C4'-P energy: -2.657 tors. eta vs tors. theta energy: -6.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -45.014829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.014829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.014829 (E_RNA) where: Base-Base interactions energy: -21.158 where: short stacking energy: -21.158 Base-Backbone interact. energy: -0.000 local terms energy: -23.857107 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -3.923 flat angles C4'-P-C4' energy: -4.857 flat angles P-C4'-P energy: -2.822 tors. eta vs tors. theta energy: -7.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -33.394658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.394658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.394658 (E_RNA) where: Base-Base interactions energy: -10.005 where: short stacking energy: -10.005 Base-Backbone interact. energy: -0.007 local terms energy: -23.382724 where: bonds (distance) C4'-P energy: -5.038 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.606 flat angles P-C4'-P energy: -5.529 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: 7, replica: 5 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -31.805072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.805072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.805072 (E_RNA) where: Base-Base interactions energy: -12.754 where: short stacking energy: -12.754 Base-Backbone interact. energy: -0.002 local terms energy: -19.048865 where: bonds (distance) C4'-P energy: -1.880 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.918 flat angles P-C4'-P energy: -4.946 tors. eta vs tors. theta energy: -1.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -37.751226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.751226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.751226 (E_RNA) where: Base-Base interactions energy: -17.308 where: short stacking energy: -17.308 Base-Backbone interact. energy: -0.000 local terms energy: -20.443430 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -4.432 flat angles P-C4'-P energy: -2.419 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: 9, replica: 3 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -37.079968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.079968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.079968 (E_RNA) where: Base-Base interactions energy: -14.539 where: short stacking energy: -14.539 Base-Backbone interact. energy: -0.000 local terms energy: -22.540465 where: bonds (distance) C4'-P energy: -4.747 bonds (distance) P-C4' energy: -5.315 flat angles C4'-P-C4' energy: -5.378 flat angles P-C4'-P energy: -0.804 tors. eta vs tors. theta energy: -6.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -32.449048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.449048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.449048 (E_RNA) where: Base-Base interactions energy: -14.675 where: short stacking energy: -9.961 Base-Backbone interact. energy: -0.872 local terms energy: -16.901361 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -3.599 flat angles P-C4'-P energy: -1.267 tors. eta vs tors. theta energy: 0.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -67.631420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.631420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.631420 (E_RNA) where: Base-Base interactions energy: -42.852 where: short stacking energy: -18.188 Base-Backbone interact. energy: -0.394 local terms energy: -24.385838 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -5.785 flat angles P-C4'-P energy: -3.797 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: 2, replica: 9 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -45.737893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.737893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.737893 (E_RNA) where: Base-Base interactions energy: -17.744 where: short stacking energy: -17.744 Base-Backbone interact. energy: -0.000 local terms energy: -27.994046 where: bonds (distance) C4'-P energy: -5.349 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -5.796 flat angles P-C4'-P energy: -3.615 tors. eta vs tors. theta energy: -6.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -46.519750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.519750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.519750 (E_RNA) where: Base-Base interactions energy: -17.733 where: short stacking energy: -17.733 Base-Backbone interact. energy: -0.000 local terms energy: -28.786884 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.521 flat angles P-C4'-P energy: -3.778 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: 4, replica: 2 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -51.118671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.118671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.118671 (E_RNA) where: Base-Base interactions energy: -24.967 where: short stacking energy: -24.967 Base-Backbone interact. energy: -0.000 local terms energy: -26.151744 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.968 flat angles P-C4'-P energy: -2.333 tors. eta vs tors. theta energy: -5.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -46.995527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.995527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.995527 (E_RNA) where: Base-Base interactions energy: -21.112 where: short stacking energy: -21.112 Base-Backbone interact. energy: -0.000 local terms energy: -25.883686 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -5.959 flat angles P-C4'-P energy: -2.962 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: 6, replica: 5 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -34.090816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.090816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.090816 (E_RNA) where: Base-Base interactions energy: -13.068 where: short stacking energy: -13.068 Base-Backbone interact. energy: -0.139 local terms energy: -20.884377 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -4.298 flat angles P-C4'-P energy: -4.380 tors. eta vs tors. theta energy: -0.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -32.339603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.339603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.339603 (E_RNA) where: Base-Base interactions energy: -13.251 where: short stacking energy: -13.251 Base-Backbone interact. energy: -0.065 local terms energy: -19.023524 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -5.078 flat angles C4'-P-C4' energy: -5.948 flat angles P-C4'-P energy: -2.627 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: 8, replica: 3 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -41.766795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.766795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.766795 (E_RNA) where: Base-Base interactions energy: -17.997 where: short stacking energy: -17.997 Base-Backbone interact. energy: -0.001 local terms energy: -23.768750 where: bonds (distance) C4'-P energy: -4.326 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -5.448 flat angles P-C4'-P energy: -3.462 tors. eta vs tors. theta energy: -4.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -38.218201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.218201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.218201 (E_RNA) where: Base-Base interactions energy: -15.285 where: short stacking energy: -15.285 Base-Backbone interact. energy: -0.000 local terms energy: -22.932493 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -4.321 flat angles P-C4'-P energy: -4.914 tors. eta vs tors. theta energy: -2.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -29.341550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.341550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.341550 (E_RNA) where: Base-Base interactions energy: -7.383 where: short stacking energy: -7.383 Base-Backbone interact. energy: -0.000 local terms energy: -21.958866 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -5.751 flat angles P-C4'-P energy: -3.121 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: 1, replica: 8 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -62.410673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.410673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.410673 (E_RNA) where: Base-Base interactions energy: -38.316 where: short stacking energy: -19.198 Base-Backbone interact. energy: -0.011 local terms energy: -24.083483 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.531 flat angles P-C4'-P energy: -4.235 tors. eta vs tors. theta energy: -2.940 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: 2, replica: 9 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -41.849596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.849596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.849596 (E_RNA) where: Base-Base interactions energy: -19.523 where: short stacking energy: -19.523 Base-Backbone interact. energy: -0.000 local terms energy: -22.326328 where: bonds (distance) C4'-P energy: -4.835 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -4.596 flat angles P-C4'-P energy: -2.202 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: 3, replica: 2 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -45.799660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.799660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.799660 (E_RNA) where: Base-Base interactions energy: -20.492 where: short stacking energy: -17.083 Base-Backbone interact. energy: -0.001 local terms energy: -25.306364 where: bonds (distance) C4'-P energy: -4.931 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.727 flat angles P-C4'-P energy: -2.952 tors. eta vs tors. theta energy: -5.821 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: 10 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -48.418326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.418326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.418326 (E_RNA) where: Base-Base interactions energy: -22.695 where: short stacking energy: -22.695 Base-Backbone interact. energy: -0.000 local terms energy: -25.722977 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.452 flat angles P-C4'-P energy: -3.062 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: 5 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -35.476003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.476003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.476003 (E_RNA) where: Base-Base interactions energy: -13.772 where: short stacking energy: -10.318 Base-Backbone interact. energy: -0.000 local terms energy: -21.703657 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -3.836 flat angles P-C4'-P energy: -3.714 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: 6, replica: 4 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -42.918765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.918765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.918765 (E_RNA) where: Base-Base interactions energy: -19.097 where: short stacking energy: -19.097 Base-Backbone interact. energy: -0.164 local terms energy: -23.658074 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -6.030 flat angles P-C4'-P energy: -3.415 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: 7, replica: 6 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -44.137333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.137333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.137333 (E_RNA) where: Base-Base interactions energy: -18.355 where: short stacking energy: -18.355 Base-Backbone interact. energy: -0.000 local terms energy: -25.781929 where: bonds (distance) C4'-P energy: -4.221 bonds (distance) P-C4' energy: -5.150 flat angles C4'-P-C4' energy: -6.113 flat angles P-C4'-P energy: -4.388 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: 8, replica: 3 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -37.105075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.105075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.105075 (E_RNA) where: Base-Base interactions energy: -15.078 where: short stacking energy: -15.078 Base-Backbone interact. energy: -0.000 local terms energy: -22.026632 where: bonds (distance) C4'-P energy: -4.743 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -6.484 flat angles P-C4'-P energy: -4.433 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: 9, replica: 1 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -35.192273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.192273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.192273 (E_RNA) where: Base-Base interactions energy: -11.641 where: short stacking energy: -11.641 Base-Backbone interact. energy: -0.008 local terms energy: -23.543197 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.410 flat angles P-C4'-P energy: -3.290 tors. eta vs tors. theta energy: -1.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -34.448554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.448554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.448554 (E_RNA) where: Base-Base interactions energy: -12.619 where: short stacking energy: -11.176 Base-Backbone interact. energy: 0.375 local terms energy: -22.204524 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -5.570 flat angles C4'-P-C4' energy: -6.567 flat angles P-C4'-P energy: -3.615 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: 8 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -50.558627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.558627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.558627 (E_RNA) where: Base-Base interactions energy: -22.825 where: short stacking energy: -19.603 Base-Backbone interact. energy: -0.035 local terms energy: -27.698952 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -6.233 flat angles P-C4'-P energy: -5.678 tors. eta vs tors. theta energy: -4.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -65.120856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.120856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.120856 (E_RNA) where: Base-Base interactions energy: -44.594 where: short stacking energy: -14.306 Base-Backbone interact. energy: -0.018 local terms energy: -20.509151 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -5.942 flat angles C4'-P-C4' energy: -4.487 flat angles P-C4'-P energy: -2.661 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: 3, replica: 9 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -53.993647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.993647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.993647 (E_RNA) where: Base-Base interactions energy: -29.907 where: short stacking energy: -15.106 Base-Backbone interact. energy: -0.002 local terms energy: -24.084425 where: bonds (distance) C4'-P energy: -4.587 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -5.813 flat angles P-C4'-P energy: -1.805 tors. eta vs tors. theta energy: -5.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -39.332828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.332828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.332828 (E_RNA) where: Base-Base interactions energy: -14.341 where: short stacking energy: -14.341 Base-Backbone interact. energy: -1.620 local terms energy: -23.371778 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -6.039 flat angles P-C4'-P energy: -3.172 tors. eta vs tors. theta energy: -1.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -44.257770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.257770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.257770 (E_RNA) where: Base-Base interactions energy: -18.365 where: short stacking energy: -18.365 Base-Backbone interact. energy: -0.004 local terms energy: -25.888182 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.094 flat angles P-C4'-P energy: -5.684 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: 6, replica: 4 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -40.461157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.461157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.461157 (E_RNA) where: Base-Base interactions energy: -19.403 where: short stacking energy: -19.403 Base-Backbone interact. energy: -0.000 local terms energy: -21.058337 where: bonds (distance) C4'-P energy: -4.615 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -2.693 flat angles P-C4'-P energy: -3.278 tors. eta vs tors. theta energy: -4.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -38.003844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.003844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.003844 (E_RNA) where: Base-Base interactions energy: -14.683 where: short stacking energy: -14.683 Base-Backbone interact. energy: -0.000 local terms energy: -23.321054 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.916 flat angles C4'-P-C4' energy: -5.646 flat angles P-C4'-P energy: -3.687 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: 8, replica: 1 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -40.439159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.439159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.439159 (E_RNA) where: Base-Base interactions energy: -18.925 where: short stacking energy: -18.925 Base-Backbone interact. energy: -0.000 local terms energy: -21.514506 where: bonds (distance) C4'-P energy: -4.823 bonds (distance) P-C4' energy: -3.748 flat angles C4'-P-C4' energy: -3.871 flat angles P-C4'-P energy: -4.699 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: 9, replica: 3 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -32.426875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.426875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.426875 (E_RNA) where: Base-Base interactions energy: -9.997 where: short stacking energy: -9.997 Base-Backbone interact. energy: -0.000 local terms energy: -22.429471 where: bonds (distance) C4'-P energy: -4.027 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -6.057 flat angles P-C4'-P energy: -3.598 tors. eta vs tors. theta energy: -2.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -37.803654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.803654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.803654 (E_RNA) where: Base-Base interactions energy: -15.784 where: short stacking energy: -15.784 Base-Backbone interact. energy: -0.003 local terms energy: -22.017385 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.929 flat angles P-C4'-P energy: -3.814 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: 2 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -70.779811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.779811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.779811 (E_RNA) where: Base-Base interactions energy: -45.317 where: short stacking energy: -19.784 Base-Backbone interact. energy: -0.020 local terms energy: -25.443166 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.173 flat angles P-C4'-P energy: -4.377 tors. eta vs tors. theta energy: -3.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -50.384303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.384303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.384303 (E_RNA) where: Base-Base interactions energy: -27.821 where: short stacking energy: -15.059 Base-Backbone interact. energy: -0.004 local terms energy: -22.559318 where: bonds (distance) C4'-P energy: -5.096 bonds (distance) P-C4' energy: -5.826 flat angles C4'-P-C4' energy: -4.914 flat angles P-C4'-P energy: -4.539 tors. eta vs tors. theta energy: -2.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -47.827349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.827349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.827349 (E_RNA) where: Base-Base interactions energy: -22.109 where: short stacking energy: -17.898 Base-Backbone interact. energy: -0.015 local terms energy: -25.703117 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -6.033 flat angles P-C4'-P energy: -4.616 tors. eta vs tors. theta energy: -3.070 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: 4, replica: 9 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -47.932915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.932915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.932915 (E_RNA) where: Base-Base interactions energy: -18.866 where: short stacking energy: -18.866 Base-Backbone interact. energy: -0.000 local terms energy: -29.066699 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -5.690 flat angles P-C4'-P energy: -4.800 tors. eta vs tors. theta energy: -6.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -42.696984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.696984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.696984 (E_RNA) where: Base-Base interactions energy: -22.018 where: short stacking energy: -22.018 Base-Backbone interact. energy: -0.023 local terms energy: -20.656238 where: bonds (distance) C4'-P energy: -2.988 bonds (distance) P-C4' energy: -4.582 flat angles C4'-P-C4' energy: -5.149 flat angles P-C4'-P energy: -3.440 tors. eta vs tors. theta energy: -4.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -38.092644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.092644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.092644 (E_RNA) where: Base-Base interactions energy: -17.106 where: short stacking energy: -17.106 Base-Backbone interact. energy: -0.013 local terms energy: -20.973115 where: bonds (distance) C4'-P energy: -3.122 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -3.184 flat angles P-C4'-P energy: -3.809 tors. eta vs tors. theta energy: -4.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -30.532198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.532198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.532198 (E_RNA) where: Base-Base interactions energy: -9.648 where: short stacking energy: -9.648 Base-Backbone interact. energy: -0.085 local terms energy: -20.799127 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -5.101 flat angles P-C4'-P energy: -3.113 tors. eta vs tors. theta energy: -0.368 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: 6 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -37.579203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.579203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.579203 (E_RNA) where: Base-Base interactions energy: -16.085 where: short stacking energy: -16.085 Base-Backbone interact. energy: -0.000 local terms energy: -21.494510 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -5.579 flat angles C4'-P-C4' energy: -4.716 flat angles P-C4'-P energy: -1.295 tors. eta vs tors. theta energy: -4.031 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: 7 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -31.655481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.655481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.655481 (E_RNA) where: Base-Base interactions energy: -12.527 where: short stacking energy: -12.527 Base-Backbone interact. energy: -0.012 local terms energy: -19.116532 where: bonds (distance) C4'-P energy: -4.231 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -2.488 flat angles P-C4'-P energy: -2.566 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: 10, replica: 3 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -32.221771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.221771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.221771 (E_RNA) where: Base-Base interactions energy: -13.301 where: short stacking energy: -13.301 Base-Backbone interact. energy: -0.001 local terms energy: -18.920487 where: bonds (distance) C4'-P energy: -2.297 bonds (distance) P-C4' energy: -5.604 flat angles C4'-P-C4' energy: -3.798 flat angles P-C4'-P energy: -4.510 tors. eta vs tors. theta energy: -2.712 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: 2 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -61.903214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.903214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.903214 (E_RNA) where: Base-Base interactions energy: -39.981 where: short stacking energy: -13.563 Base-Backbone interact. energy: -0.042 local terms energy: -21.879934 where: bonds (distance) C4'-P energy: -5.145 bonds (distance) P-C4' energy: -5.472 flat angles C4'-P-C4' energy: -5.605 flat angles P-C4'-P energy: -3.387 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: 2, replica: 5 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -46.075270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.075270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.075270 (E_RNA) where: Base-Base interactions energy: -20.860 where: short stacking energy: -11.686 Base-Backbone interact. energy: -0.249 local terms energy: -24.965565 where: bonds (distance) C4'-P energy: -6.023 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.922 flat angles P-C4'-P energy: -4.642 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: 3, replica: 8 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -43.474988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.474988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.474988 (E_RNA) where: Base-Base interactions energy: -18.441 where: short stacking energy: -18.441 Base-Backbone interact. energy: -0.001 local terms energy: -25.033214 where: bonds (distance) C4'-P energy: -4.230 bonds (distance) P-C4' energy: -6.202 flat angles C4'-P-C4' energy: -5.454 flat angles P-C4'-P energy: -3.397 tors. eta vs tors. theta energy: -5.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -43.866723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.866723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.866723 (E_RNA) where: Base-Base interactions energy: -18.880 where: short stacking energy: -14.799 Base-Backbone interact. energy: -1.188 local terms energy: -23.799067 where: bonds (distance) C4'-P energy: -4.479 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.529 flat angles P-C4'-P energy: -3.347 tors. eta vs tors. theta energy: -4.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -40.900301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.900301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.900301 (E_RNA) where: Base-Base interactions energy: -19.059 where: short stacking energy: -19.059 Base-Backbone interact. energy: -0.008 local terms energy: -21.832693 where: bonds (distance) C4'-P energy: -3.430 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.949 flat angles P-C4'-P energy: -2.600 tors. eta vs tors. theta energy: -2.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -38.229227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.229227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.229227 (E_RNA) where: Base-Base interactions energy: -14.284 where: short stacking energy: -14.284 Base-Backbone interact. energy: -0.006 local terms energy: -23.938646 where: bonds (distance) C4'-P energy: -3.990 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.515 flat angles P-C4'-P energy: -2.376 tors. eta vs tors. theta energy: -5.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -35.173622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.173622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.173622 (E_RNA) where: Base-Base interactions energy: -13.989 where: short stacking energy: -13.989 Base-Backbone interact. energy: -0.103 local terms energy: -21.082080 where: bonds (distance) C4'-P energy: -3.833 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.645 flat angles P-C4'-P energy: -4.417 tors. eta vs tors. theta energy: -2.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -35.988523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.988523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.988523 (E_RNA) where: Base-Base interactions energy: -12.681 where: short stacking energy: -12.444 Base-Backbone interact. energy: -0.033 local terms energy: -23.274298 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -4.062 flat angles C4'-P-C4' energy: -4.801 flat angles P-C4'-P energy: -3.379 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: 9, replica: 6 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -32.818436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.818436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.818436 (E_RNA) where: Base-Base interactions energy: -12.214 where: short stacking energy: -12.214 Base-Backbone interact. energy: -0.235 local terms energy: -20.369851 where: bonds (distance) C4'-P energy: -4.156 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -3.900 flat angles P-C4'-P energy: -4.074 tors. eta vs tors. theta energy: -1.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -34.973845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.973845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.973845 (E_RNA) where: Base-Base interactions energy: -16.645 where: short stacking energy: -16.645 Base-Backbone interact. energy: -0.001 local terms energy: -18.327969 where: bonds (distance) C4'-P energy: -2.678 bonds (distance) P-C4' energy: -5.889 flat angles C4'-P-C4' energy: -5.834 flat angles P-C4'-P energy: 0.792 tors. eta vs tors. theta energy: -4.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -48.243992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.243992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.243992 (E_RNA) where: Base-Base interactions energy: -22.259 where: short stacking energy: -22.259 Base-Backbone interact. energy: -0.000 local terms energy: -25.984764 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.212 flat angles C4'-P-C4' energy: -6.231 flat angles P-C4'-P energy: -3.427 tors. eta vs tors. theta energy: -4.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -42.354448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.354448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.354448 (E_RNA) where: Base-Base interactions energy: -17.473 where: short stacking energy: -17.473 Base-Backbone interact. energy: -0.000 local terms energy: -24.881174 where: bonds (distance) C4'-P energy: -4.090 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -5.913 flat angles P-C4'-P energy: -4.157 tors. eta vs tors. theta energy: -4.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -42.857501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.857501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.857501 (E_RNA) where: Base-Base interactions energy: -16.980 where: short stacking energy: -16.980 Base-Backbone interact. energy: -0.000 local terms energy: -25.877724 where: bonds (distance) C4'-P energy: -4.007 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -4.684 flat angles P-C4'-P energy: -5.091 tors. eta vs tors. theta energy: -5.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -41.162939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.162939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.162939 (E_RNA) where: Base-Base interactions energy: -20.837 where: short stacking energy: -20.837 Base-Backbone interact. energy: -0.020 local terms energy: -20.306131 where: bonds (distance) C4'-P energy: -3.228 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.281 flat angles P-C4'-P energy: -3.569 tors. eta vs tors. theta energy: -1.560 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: 10 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -38.890882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.890882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.890882 (E_RNA) where: Base-Base interactions energy: -16.216 where: short stacking energy: -16.216 Base-Backbone interact. energy: -0.000 local terms energy: -22.675222 where: bonds (distance) C4'-P energy: -3.237 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.235 flat angles P-C4'-P energy: -3.009 tors. eta vs tors. theta energy: -4.519 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: 4 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -36.496935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.496935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.496935 (E_RNA) where: Base-Base interactions energy: -13.793 where: short stacking energy: -13.793 Base-Backbone interact. energy: -0.003 local terms energy: -22.700768 where: bonds (distance) C4'-P energy: -4.540 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.009 flat angles P-C4'-P energy: -1.972 tors. eta vs tors. theta energy: -4.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -42.590977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.590977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.590977 (E_RNA) where: Base-Base interactions energy: -23.718 where: short stacking energy: -12.357 Base-Backbone interact. energy: 0.296 local terms energy: -19.169299 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.442 flat angles P-C4'-P energy: -1.071 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: 8, replica: 1 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -32.992556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.992556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.992556 (E_RNA) where: Base-Base interactions energy: -10.206 where: short stacking energy: -10.206 Base-Backbone interact. energy: 0.095 local terms energy: -22.881128 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.715 flat angles P-C4'-P energy: -4.337 tors. eta vs tors. theta energy: 0.388 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: 3 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -35.449125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.449125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.449125 (E_RNA) where: Base-Base interactions energy: -14.347 where: short stacking energy: -14.347 Base-Backbone interact. energy: -0.025 local terms energy: -21.076758 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -3.282 flat angles C4'-P-C4' energy: -5.815 flat angles P-C4'-P energy: -3.420 tors. eta vs tors. theta energy: -3.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -35.443777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.443777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.443777 (E_RNA) where: Base-Base interactions energy: -12.994 where: short stacking energy: -12.994 Base-Backbone interact. energy: -0.018 local terms energy: -22.432057 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -5.188 flat angles P-C4'-P energy: -5.063 tors. eta vs tors. theta energy: -2.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -48.087425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.087425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.087425 (E_RNA) where: Base-Base interactions energy: -26.772 where: short stacking energy: -14.641 Base-Backbone interact. energy: -0.006 local terms energy: -21.309772 where: bonds (distance) C4'-P energy: -4.727 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -4.791 flat angles P-C4'-P energy: -2.755 tors. eta vs tors. theta energy: -3.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -46.465543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.465543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.465543 (E_RNA) where: Base-Base interactions energy: -27.641 where: short stacking energy: -4.555 Base-Backbone interact. energy: -0.168 local terms energy: -18.656422 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.915 flat angles P-C4'-P energy: -3.555 tors. eta vs tors. theta energy: 2.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -50.569662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.569662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.569662 (E_RNA) where: Base-Base interactions energy: -21.643 where: short stacking energy: -21.643 Base-Backbone interact. energy: -0.000 local terms energy: -28.926787 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -5.941 flat angles C4'-P-C4' energy: -6.324 flat angles P-C4'-P energy: -4.934 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: 4, replica: 10 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -50.428019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.428019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.428019 (E_RNA) where: Base-Base interactions energy: -24.598 where: short stacking energy: -24.598 Base-Backbone interact. energy: -0.000 local terms energy: -25.830372 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.161 flat angles P-C4'-P energy: -4.014 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: 5, replica: 9 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -37.425668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.425668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.425668 (E_RNA) where: Base-Base interactions energy: -16.816 where: short stacking energy: -15.550 Base-Backbone interact. energy: -0.000 local terms energy: -20.609528 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.640 flat angles P-C4'-P energy: -2.395 tors. eta vs tors. theta energy: 0.431 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: 7 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -40.986378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.986378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.986378 (E_RNA) where: Base-Base interactions energy: -16.354 where: short stacking energy: -16.354 Base-Backbone interact. energy: -0.005 local terms energy: -24.627631 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -5.705 flat angles C4'-P-C4' energy: -6.386 flat angles P-C4'-P energy: -3.045 tors. eta vs tors. theta energy: -4.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -38.265542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.265542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.265542 (E_RNA) where: Base-Base interactions energy: -12.859 where: short stacking energy: -12.859 Base-Backbone interact. energy: -0.000 local terms energy: -25.406579 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.763 flat angles P-C4'-P energy: -4.697 tors. eta vs tors. theta energy: -3.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -40.446482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.446482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.446482 (E_RNA) where: Base-Base interactions energy: -15.963 where: short stacking energy: -14.678 Base-Backbone interact. energy: -0.086 local terms energy: -24.398340 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -5.576 flat angles C4'-P-C4' energy: -5.682 flat angles P-C4'-P energy: -2.375 tors. eta vs tors. theta energy: -5.247 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: 1 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -30.307951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.307951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.307951 (E_RNA) where: Base-Base interactions energy: -9.661 where: short stacking energy: -8.827 Base-Backbone interact. energy: -0.096 local terms energy: -20.551224 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.624 flat angles P-C4'-P energy: -2.373 tors. eta vs tors. theta energy: -1.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -35.191358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.191358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.191358 (E_RNA) where: Base-Base interactions energy: -13.719 where: short stacking energy: -13.719 Base-Backbone interact. energy: -0.001 local terms energy: -21.470990 where: bonds (distance) C4'-P energy: -4.268 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -5.340 flat angles P-C4'-P energy: -4.680 tors. eta vs tors. theta energy: -1.217 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: 5 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -38.827052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.827052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.827052 (E_RNA) where: Base-Base interactions energy: -14.281 where: short stacking energy: -14.281 Base-Backbone interact. energy: -0.000 local terms energy: -24.545681 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.971 flat angles P-C4'-P energy: -3.548 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: 2, replica: 2 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -46.030205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.030205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.030205 (E_RNA) where: Base-Base interactions energy: -20.625 where: short stacking energy: -20.625 Base-Backbone interact. energy: -0.001 local terms energy: -25.403454 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -3.716 flat angles P-C4'-P energy: -3.811 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: 3, replica: 10 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -44.864233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.864233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.864233 (E_RNA) where: Base-Base interactions energy: -23.327 where: short stacking energy: -19.682 Base-Backbone interact. energy: -0.812 local terms energy: -20.725459 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -4.437 flat angles P-C4'-P energy: -2.364 tors. eta vs tors. theta energy: -2.757 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: 370 Temperature: 1.050000 Total energy: -45.475169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.475169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.475169 (E_RNA) where: Base-Base interactions energy: -20.747 where: short stacking energy: -20.747 Base-Backbone interact. energy: -0.000 local terms energy: -24.728282 where: bonds (distance) C4'-P energy: -5.037 bonds (distance) P-C4' energy: -5.945 flat angles C4'-P-C4' energy: -4.586 flat angles P-C4'-P energy: -2.680 tors. eta vs tors. theta energy: -6.481 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: 5, replica: 9 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -38.870873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.870873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.870873 (E_RNA) where: Base-Base interactions energy: -14.723 where: short stacking energy: -14.723 Base-Backbone interact. energy: -0.002 local terms energy: -24.145869 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -4.405 flat angles P-C4'-P energy: -2.876 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: 6, replica: 7 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -40.670853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.670853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.670853 (E_RNA) where: Base-Base interactions energy: -17.675 where: short stacking energy: -17.675 Base-Backbone interact. energy: -0.002 local terms energy: -22.994391 where: bonds (distance) C4'-P energy: -4.570 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -3.038 flat angles P-C4'-P energy: -1.238 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: 7, replica: 3 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -31.939722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.939722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.939722 (E_RNA) where: Base-Base interactions energy: -8.287 where: short stacking energy: -8.255 Base-Backbone interact. energy: -0.001 local terms energy: -23.652084 where: bonds (distance) C4'-P energy: -4.383 bonds (distance) P-C4' energy: -6.131 flat angles C4'-P-C4' energy: -6.540 flat angles P-C4'-P energy: -5.333 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: 8, replica: 4 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -32.812986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.812986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.812986 (E_RNA) where: Base-Base interactions energy: -17.276 where: short stacking energy: -8.826 Base-Backbone interact. energy: -0.014 local terms energy: -15.523448 where: bonds (distance) C4'-P energy: -1.970 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -5.880 flat angles P-C4'-P energy: -3.099 tors. eta vs tors. theta energy: 0.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -30.503675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.503675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.503675 (E_RNA) where: Base-Base interactions energy: -9.749 where: short stacking energy: -9.668 Base-Backbone interact. energy: -0.298 local terms energy: -20.456747 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -3.023 flat angles P-C4'-P energy: -3.845 tors. eta vs tors. theta energy: -0.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -39.191277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.191277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.191277 (E_RNA) where: Base-Base interactions energy: -16.482 where: short stacking energy: -16.482 Base-Backbone interact. energy: -0.000 local terms energy: -22.709165 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.496 flat angles P-C4'-P energy: -1.852 tors. eta vs tors. theta energy: -4.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -52.829556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.829556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.829556 (E_RNA) where: Base-Base interactions energy: -24.515 where: short stacking energy: -24.515 Base-Backbone interact. energy: -0.000 local terms energy: -28.314696 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.857 flat angles P-C4'-P energy: -3.688 tors. eta vs tors. theta energy: -6.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -54.881859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.881859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.881859 (E_RNA) where: Base-Base interactions energy: -25.370 where: short stacking energy: -25.370 Base-Backbone interact. energy: -0.000 local terms energy: -29.511827 where: bonds (distance) C4'-P energy: -3.949 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -5.970 flat angles P-C4'-P energy: -5.193 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: 2 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -49.181585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.181585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.181585 (E_RNA) where: Base-Base interactions energy: -24.151 where: short stacking energy: -24.151 Base-Backbone interact. energy: -0.000 local terms energy: -25.030645 where: bonds (distance) C4'-P energy: -3.833 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.683 flat angles P-C4'-P energy: -2.685 tors. eta vs tors. theta energy: -6.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -45.313072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.313072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.313072 (E_RNA) where: Base-Base interactions energy: -20.992 where: short stacking energy: -20.992 Base-Backbone interact. energy: -0.007 local terms energy: -24.313706 where: bonds (distance) C4'-P energy: -5.517 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.849 flat angles P-C4'-P energy: -1.566 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: 5, replica: 8 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -35.677678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.677678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.677678 (E_RNA) where: Base-Base interactions energy: -13.517 where: short stacking energy: -13.517 Base-Backbone interact. energy: -0.057 local terms energy: -22.103841 where: bonds (distance) C4'-P energy: -5.252 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -6.189 flat angles P-C4'-P energy: -2.412 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: 6, replica: 3 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -42.900833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.900833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.900833 (E_RNA) where: Base-Base interactions energy: -17.944 where: short stacking energy: -17.944 Base-Backbone interact. energy: -0.000 local terms energy: -24.956343 where: bonds (distance) C4'-P energy: -4.752 bonds (distance) P-C4' energy: -4.168 flat angles C4'-P-C4' energy: -5.993 flat angles P-C4'-P energy: -3.997 tors. eta vs tors. theta energy: -6.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -42.081850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.081850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.081850 (E_RNA) where: Base-Base interactions energy: -18.427 where: short stacking energy: -18.427 Base-Backbone interact. energy: -0.002 local terms energy: -23.652961 where: bonds (distance) C4'-P energy: -4.371 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.410 flat angles P-C4'-P energy: -3.793 tors. eta vs tors. theta energy: -3.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -31.000096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.000096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.000096 (E_RNA) where: Base-Base interactions energy: -10.778 where: short stacking energy: -8.715 Base-Backbone interact. energy: -0.000 local terms energy: -20.222323 where: bonds (distance) C4'-P energy: -4.516 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.980 flat angles P-C4'-P energy: -2.329 tors. eta vs tors. theta energy: -0.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -35.231253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.231253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.231253 (E_RNA) where: Base-Base interactions energy: -12.757 where: short stacking energy: -12.757 Base-Backbone interact. energy: -0.001 local terms energy: -22.473736 where: bonds (distance) C4'-P energy: -3.965 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -5.465 flat angles P-C4'-P energy: -2.382 tors. eta vs tors. theta energy: -4.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -33.837273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.837273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.837273 (E_RNA) where: Base-Base interactions energy: -11.530 where: short stacking energy: -8.315 Base-Backbone interact. energy: -0.913 local terms energy: -21.394783 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.306 flat angles P-C4'-P energy: -2.308 tors. eta vs tors. theta energy: -1.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -45.075668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.075668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.075668 (E_RNA) where: Base-Base interactions energy: -19.456 where: short stacking energy: -17.814 Base-Backbone interact. energy: -0.000 local terms energy: -25.619829 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -5.368 flat angles C4'-P-C4' energy: -5.958 flat angles P-C4'-P energy: -3.921 tors. eta vs tors. theta energy: -5.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -43.741117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.741117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.741117 (E_RNA) where: Base-Base interactions energy: -21.564 where: short stacking energy: -15.028 Base-Backbone interact. energy: -0.757 local terms energy: -21.420495 where: bonds (distance) C4'-P energy: -5.125 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.903 flat angles P-C4'-P energy: -0.621 tors. eta vs tors. theta energy: -2.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -41.372609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.372609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.372609 (E_RNA) where: Base-Base interactions energy: -19.648 where: short stacking energy: -19.648 Base-Backbone interact. energy: -0.005 local terms energy: -21.718982 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -5.921 flat angles P-C4'-P energy: -1.971 tors. eta vs tors. theta energy: -2.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -38.870680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.870680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.870680 (E_RNA) where: Base-Base interactions energy: -15.218 where: short stacking energy: -15.218 Base-Backbone interact. energy: -0.038 local terms energy: -23.614556 where: bonds (distance) C4'-P energy: -6.106 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.218 flat angles P-C4'-P energy: -2.413 tors. eta vs tors. theta energy: -2.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -48.245388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.245388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.245388 (E_RNA) where: Base-Base interactions energy: -22.776 where: short stacking energy: -22.776 Base-Backbone interact. energy: -0.018 local terms energy: -25.450787 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -3.936 flat angles C4'-P-C4' energy: -6.234 flat angles P-C4'-P energy: -5.036 tors. eta vs tors. theta energy: -5.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -35.091113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.091113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.091113 (E_RNA) where: Base-Base interactions energy: -14.147 where: short stacking energy: -7.471 Base-Backbone interact. energy: -0.017 local terms energy: -20.927185 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -5.699 flat angles C4'-P-C4' energy: -3.868 flat angles P-C4'-P energy: -3.307 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: 7, replica: 6 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -35.057788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.057788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.057788 (E_RNA) where: Base-Base interactions energy: -13.529 where: short stacking energy: -13.529 Base-Backbone interact. energy: -0.008 local terms energy: -21.520966 where: bonds (distance) C4'-P energy: -5.287 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.421 flat angles P-C4'-P energy: -4.579 tors. eta vs tors. theta energy: -0.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -37.385391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.385391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.385391 (E_RNA) where: Base-Base interactions energy: -15.588 where: short stacking energy: -14.746 Base-Backbone interact. energy: -0.100 local terms energy: -21.696850 where: bonds (distance) C4'-P energy: -5.096 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.958 flat angles P-C4'-P energy: -2.849 tors. eta vs tors. theta energy: -2.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -28.744336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.744336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.744336 (E_RNA) where: Base-Base interactions energy: -8.911 where: short stacking energy: -8.911 Base-Backbone interact. energy: -0.181 local terms energy: -19.652505 where: bonds (distance) C4'-P energy: -5.099 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.845 flat angles P-C4'-P energy: -4.151 tors. eta vs tors. theta energy: 2.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -38.304685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.304685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.304685 (E_RNA) where: Base-Base interactions energy: -16.359 where: short stacking energy: -16.359 Base-Backbone interact. energy: -0.000 local terms energy: -21.944937 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.750 flat angles P-C4'-P energy: -0.738 tors. eta vs tors. theta energy: -3.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -54.232238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.232238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.232238 (E_RNA) where: Base-Base interactions energy: -25.098 where: short stacking energy: -25.098 Base-Backbone interact. energy: -0.000 local terms energy: -29.133864 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -5.948 flat angles P-C4'-P energy: -4.437 tors. eta vs tors. theta energy: -6.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -48.672798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.672798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.672798 (E_RNA) where: Base-Base interactions energy: -22.754 where: short stacking energy: -22.754 Base-Backbone interact. energy: -0.000 local terms energy: -25.918450 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -4.032 flat angles P-C4'-P energy: -3.895 tors. eta vs tors. theta energy: -6.046 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: 3, replica: 5 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -46.656270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.656270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.656270 (E_RNA) where: Base-Base interactions energy: -22.291 where: short stacking energy: -15.408 Base-Backbone interact. energy: -0.759 local terms energy: -23.606224 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -4.849 flat angles C4'-P-C4' energy: -5.593 flat angles P-C4'-P energy: -4.560 tors. eta vs tors. theta energy: -2.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -39.361661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.361661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.361661 (E_RNA) where: Base-Base interactions energy: -16.347 where: short stacking energy: -16.347 Base-Backbone interact. energy: -0.012 local terms energy: -23.002792 where: bonds (distance) C4'-P energy: -2.744 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.548 flat angles P-C4'-P energy: -3.888 tors. eta vs tors. theta energy: -4.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -41.046860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.046860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.046860 (E_RNA) where: Base-Base interactions energy: -17.660 where: short stacking energy: -17.660 Base-Backbone interact. energy: -0.081 local terms energy: -23.306610 where: bonds (distance) C4'-P energy: -4.454 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.091 flat angles P-C4'-P energy: -4.554 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: 6, replica: 6 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -37.088571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.088571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.088571 (E_RNA) where: Base-Base interactions energy: -14.374 where: short stacking energy: -14.374 Base-Backbone interact. energy: -0.000 local terms energy: -22.714091 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.107 flat angles C4'-P-C4' energy: -3.407 flat angles P-C4'-P energy: -4.233 tors. eta vs tors. theta energy: -2.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -34.922410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.922410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.922410 (E_RNA) where: Base-Base interactions energy: -15.701 where: short stacking energy: -12.833 Base-Backbone interact. energy: -0.007 local terms energy: -19.214370 where: bonds (distance) C4'-P energy: -4.442 bonds (distance) P-C4' energy: -5.189 flat angles C4'-P-C4' energy: -4.972 flat angles P-C4'-P energy: -3.803 tors. eta vs tors. theta energy: -0.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -34.311797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.311797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.311797 (E_RNA) where: Base-Base interactions energy: -13.330 where: short stacking energy: -13.330 Base-Backbone interact. energy: -0.125 local terms energy: -20.856765 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -5.371 flat angles C4'-P-C4' energy: -5.903 flat angles P-C4'-P energy: -3.347 tors. eta vs tors. theta energy: 0.102 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: 7 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -37.959522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.959522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.959522 (E_RNA) where: Base-Base interactions energy: -15.229 where: short stacking energy: -15.229 Base-Backbone interact. energy: -0.000 local terms energy: -22.730009 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -4.233 flat angles C4'-P-C4' energy: -4.306 flat angles P-C4'-P energy: -5.250 tors. eta vs tors. theta energy: -3.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -31.902203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.902203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.902203 (E_RNA) where: Base-Base interactions energy: -12.887 where: short stacking energy: -8.124 Base-Backbone interact. energy: 0.424 local terms energy: -19.439887 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -5.435 flat angles C4'-P-C4' energy: -5.809 flat angles P-C4'-P energy: -4.616 tors. eta vs tors. theta energy: 1.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -45.588108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.588108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.588108 (E_RNA) where: Base-Base interactions energy: -20.829 where: short stacking energy: -20.829 Base-Backbone interact. energy: -0.001 local terms energy: -24.757514 where: bonds (distance) C4'-P energy: -5.207 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.992 flat angles P-C4'-P energy: -2.762 tors. eta vs tors. theta energy: -3.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -48.749956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.749956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.749956 (E_RNA) where: Base-Base interactions energy: -25.334 where: short stacking energy: -25.334 Base-Backbone interact. energy: -0.000 local terms energy: -23.416382 where: bonds (distance) C4'-P energy: -4.913 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -4.004 flat angles P-C4'-P energy: -2.696 tors. eta vs tors. theta energy: -5.871 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: 3 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -41.900597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.900597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.900597 (E_RNA) where: Base-Base interactions energy: -15.678 where: short stacking energy: -15.678 Base-Backbone interact. energy: -0.005 local terms energy: -26.217861 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -6.519 flat angles P-C4'-P energy: -4.175 tors. eta vs tors. theta energy: -2.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -43.234188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.234188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.234188 (E_RNA) where: Base-Base interactions energy: -18.133 where: short stacking energy: -18.133 Base-Backbone interact. energy: -0.098 local terms energy: -25.002898 where: bonds (distance) C4'-P energy: -4.487 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.235 flat angles P-C4'-P energy: -2.575 tors. eta vs tors. theta energy: -6.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -49.852290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.852290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.852290 (E_RNA) where: Base-Base interactions energy: -22.409 where: short stacking energy: -22.409 Base-Backbone interact. energy: -0.000 local terms energy: -27.443615 where: bonds (distance) C4'-P energy: -4.293 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.565 flat angles P-C4'-P energy: -3.922 tors. eta vs tors. theta energy: -6.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -36.848616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.848616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.848616 (E_RNA) where: Base-Base interactions energy: -13.225 where: short stacking energy: -11.384 Base-Backbone interact. energy: -0.000 local terms energy: -23.623743 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -5.861 flat angles C4'-P-C4' energy: -5.767 flat angles P-C4'-P energy: -4.487 tors. eta vs tors. theta energy: -2.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -36.978509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.978509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.978509 (E_RNA) where: Base-Base interactions energy: -12.162 where: short stacking energy: -12.162 Base-Backbone interact. energy: -0.000 local terms energy: -24.815938 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -5.541 flat angles C4'-P-C4' energy: -5.629 flat angles P-C4'-P energy: -4.209 tors. eta vs tors. theta energy: -4.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -43.427650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.427650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.427650 (E_RNA) where: Base-Base interactions energy: -23.122 where: short stacking energy: -23.122 Base-Backbone interact. energy: -0.000 local terms energy: -20.305213 where: bonds (distance) C4'-P energy: 0.385 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.113 flat angles P-C4'-P energy: -2.637 tors. eta vs tors. theta energy: -6.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -29.454215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.454215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.454215 (E_RNA) where: Base-Base interactions energy: -8.913 where: short stacking energy: -3.824 Base-Backbone interact. energy: 0.809 local terms energy: -21.350396 where: bonds (distance) C4'-P energy: -4.983 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -5.283 flat angles P-C4'-P energy: -5.287 tors. eta vs tors. theta energy: 0.430 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: 7 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -32.698546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.698546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.698546 (E_RNA) where: Base-Base interactions energy: -13.900 where: short stacking energy: -4.237 Base-Backbone interact. energy: -0.056 local terms energy: -18.742678 where: bonds (distance) C4'-P energy: -4.859 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.154 flat angles P-C4'-P energy: -3.519 tors. eta vs tors. theta energy: 2.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -60.297319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.297319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.297319 (E_RNA) where: Base-Base interactions energy: -37.234 where: short stacking energy: -16.019 Base-Backbone interact. energy: -0.000 local terms energy: -23.063387 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -5.378 flat angles P-C4'-P energy: -2.705 tors. eta vs tors. theta energy: -2.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -44.714296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.714296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.714296 (E_RNA) where: Base-Base interactions energy: -19.660 where: short stacking energy: -19.660 Base-Backbone interact. energy: -0.643 local terms energy: -24.411100 where: bonds (distance) C4'-P energy: -3.957 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -5.749 flat angles P-C4'-P energy: -5.003 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: 3, replica: 10 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -49.110678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.110678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.110678 (E_RNA) where: Base-Base interactions energy: -20.981 where: short stacking energy: -20.981 Base-Backbone interact. energy: -0.000 local terms energy: -28.129822 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.806 flat angles P-C4'-P energy: -4.520 tors. eta vs tors. theta energy: -5.551 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: 5 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -45.261895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.261895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.261895 (E_RNA) where: Base-Base interactions energy: -28.365 where: short stacking energy: -19.107 Base-Backbone interact. energy: -0.001 local terms energy: -16.896348 where: bonds (distance) C4'-P energy: -2.454 bonds (distance) P-C4' energy: -5.051 flat angles C4'-P-C4' energy: -5.439 flat angles P-C4'-P energy: -3.784 tors. eta vs tors. theta energy: -0.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -44.662046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.662046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.662046 (E_RNA) where: Base-Base interactions energy: -22.756 where: short stacking energy: -18.564 Base-Backbone interact. energy: -0.434 local terms energy: -21.472388 where: bonds (distance) C4'-P energy: -4.619 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -5.051 flat angles P-C4'-P energy: -3.394 tors. eta vs tors. theta energy: -2.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -39.285161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.285161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.285161 (E_RNA) where: Base-Base interactions energy: -15.516 where: short stacking energy: -15.516 Base-Backbone interact. energy: -0.002 local terms energy: -23.767374 where: bonds (distance) C4'-P energy: -4.760 bonds (distance) P-C4' energy: -5.659 flat angles C4'-P-C4' energy: -5.657 flat angles P-C4'-P energy: -4.201 tors. eta vs tors. theta energy: -3.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -44.368996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.368996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.368996 (E_RNA) where: Base-Base interactions energy: -24.229 where: short stacking energy: -24.229 Base-Backbone interact. energy: -0.002 local terms energy: -20.137831 where: bonds (distance) C4'-P energy: -3.254 bonds (distance) P-C4' energy: -5.889 flat angles C4'-P-C4' energy: -2.182 flat angles P-C4'-P energy: -3.130 tors. eta vs tors. theta energy: -5.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -37.820714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.820714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.820714 (E_RNA) where: Base-Base interactions energy: -17.646 where: short stacking energy: -17.646 Base-Backbone interact. energy: -0.077 local terms energy: -20.097360 where: bonds (distance) C4'-P energy: -6.254 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -3.729 flat angles P-C4'-P energy: -4.016 tors. eta vs tors. theta energy: -0.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -40.760376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.760376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.760376 (E_RNA) where: Base-Base interactions energy: -18.273 where: short stacking energy: -12.779 Base-Backbone interact. energy: -0.034 local terms energy: -22.452773 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -4.164 flat angles P-C4'-P energy: -3.788 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: 10, replica: 7 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -32.520216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.520216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.520216 (E_RNA) where: Base-Base interactions energy: -11.458 where: short stacking energy: -6.639 Base-Backbone interact. energy: -0.043 local terms energy: -21.018832 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -5.083 flat angles C4'-P-C4' energy: -5.142 flat angles P-C4'-P energy: -3.900 tors. eta vs tors. theta energy: -1.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -49.980965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.980965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.980965 (E_RNA) where: Base-Base interactions energy: -22.475 where: short stacking energy: -18.848 Base-Backbone interact. energy: -0.000 local terms energy: -27.505560 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.733 flat angles P-C4'-P energy: -5.072 tors. eta vs tors. theta energy: -3.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -58.800500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.800500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.800500 (E_RNA) where: Base-Base interactions energy: -34.217 where: short stacking energy: -18.077 Base-Backbone interact. energy: -0.001 local terms energy: -24.583274 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -5.124 flat angles P-C4'-P energy: -3.769 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: 3, replica: 5 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -49.346779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.346779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.346779 (E_RNA) where: Base-Base interactions energy: -20.523 where: short stacking energy: -20.523 Base-Backbone interact. energy: -0.000 local terms energy: -28.823751 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.129 flat angles P-C4'-P energy: -4.161 tors. eta vs tors. theta energy: -6.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -43.195628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.195628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.195628 (E_RNA) where: Base-Base interactions energy: -24.735 where: short stacking energy: -19.473 Base-Backbone interact. energy: -0.004 local terms energy: -18.456706 where: bonds (distance) C4'-P energy: -1.903 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -3.558 flat angles P-C4'-P energy: -4.310 tors. eta vs tors. theta energy: -2.465 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: 1 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -44.810540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.810540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.810540 (E_RNA) where: Base-Base interactions energy: -18.492 where: short stacking energy: -13.209 Base-Backbone interact. energy: -0.001 local terms energy: -26.317259 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.392 flat angles C4'-P-C4' energy: -4.809 flat angles P-C4'-P energy: -5.555 tors. eta vs tors. theta energy: -3.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -45.281659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.281659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.281659 (E_RNA) where: Base-Base interactions energy: -21.388 where: short stacking energy: -16.142 Base-Backbone interact. energy: -0.001 local terms energy: -23.892818 where: bonds (distance) C4'-P energy: -5.025 bonds (distance) P-C4' energy: -5.512 flat angles C4'-P-C4' energy: -4.988 flat angles P-C4'-P energy: -4.686 tors. eta vs tors. theta energy: -3.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -43.171779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.171779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.171779 (E_RNA) where: Base-Base interactions energy: -17.103 where: short stacking energy: -17.103 Base-Backbone interact. energy: -0.000 local terms energy: -26.069025 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -6.638 flat angles P-C4'-P energy: -4.767 tors. eta vs tors. theta energy: -3.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -37.738864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.738864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.738864 (E_RNA) where: Base-Base interactions energy: -15.755 where: short stacking energy: -15.755 Base-Backbone interact. energy: -0.000 local terms energy: -21.983993 where: bonds (distance) C4'-P energy: -3.262 bonds (distance) P-C4' energy: -5.103 flat angles C4'-P-C4' energy: -4.426 flat angles P-C4'-P energy: -3.650 tors. eta vs tors. theta energy: -5.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -34.605305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.605305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.605305 (E_RNA) where: Base-Base interactions energy: -12.861 where: short stacking energy: -12.861 Base-Backbone interact. energy: -0.000 local terms energy: -21.744065 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -5.414 flat angles P-C4'-P energy: -1.067 tors. eta vs tors. theta energy: -3.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -34.014961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.014961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.014961 (E_RNA) where: Base-Base interactions energy: -14.342 where: short stacking energy: -14.342 Base-Backbone interact. energy: -0.006 local terms energy: -19.666780 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -3.486 flat angles P-C4'-P energy: -4.461 tors. eta vs tors. theta energy: -0.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -55.081560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.081560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.081560 (E_RNA) where: Base-Base interactions energy: -24.902 where: short stacking energy: -24.902 Base-Backbone interact. energy: -0.000 local terms energy: -30.179512 where: bonds (distance) C4'-P energy: -5.953 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -5.676 flat angles P-C4'-P energy: -4.879 tors. eta vs tors. theta energy: -8.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -59.603010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.603010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.603010 (E_RNA) where: Base-Base interactions energy: -38.338 where: short stacking energy: -14.844 Base-Backbone interact. energy: -0.010 local terms energy: -21.254373 where: bonds (distance) C4'-P energy: -5.617 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -3.838 flat angles P-C4'-P energy: -3.432 tors. eta vs tors. theta energy: -1.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -45.861652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.861652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.861652 (E_RNA) where: Base-Base interactions energy: -21.384 where: short stacking energy: -21.384 Base-Backbone interact. energy: -0.000 local terms energy: -24.477595 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -3.714 flat angles C4'-P-C4' energy: -5.595 flat angles P-C4'-P energy: -3.779 tors. eta vs tors. theta energy: -5.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -49.433088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.433088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.433088 (E_RNA) where: Base-Base interactions energy: -28.917 where: short stacking energy: -17.448 Base-Backbone interact. energy: -0.000 local terms energy: -20.516458 where: bonds (distance) C4'-P energy: -3.841 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -4.612 flat angles P-C4'-P energy: -0.207 tors. eta vs tors. theta energy: -5.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -39.622951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.622951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.622951 (E_RNA) where: Base-Base interactions energy: -19.931 where: short stacking energy: -19.931 Base-Backbone interact. energy: -0.033 local terms energy: -19.659706 where: bonds (distance) C4'-P energy: -5.179 bonds (distance) P-C4' energy: -2.349 flat angles C4'-P-C4' energy: -4.595 flat angles P-C4'-P energy: -3.361 tors. eta vs tors. theta energy: -4.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -46.829894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.829894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.829894 (E_RNA) where: Base-Base interactions energy: -21.330 where: short stacking energy: -16.689 Base-Backbone interact. energy: -0.014 local terms energy: -25.486054 where: bonds (distance) C4'-P energy: -5.187 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.637 flat angles P-C4'-P energy: -4.767 tors. eta vs tors. theta energy: -2.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -39.526360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.526360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.526360 (E_RNA) where: Base-Base interactions energy: -19.508 where: short stacking energy: -16.307 Base-Backbone interact. energy: -0.015 local terms energy: -20.003016 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -2.887 flat angles P-C4'-P energy: -4.403 tors. eta vs tors. theta energy: -2.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -35.410356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.410356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.410356 (E_RNA) where: Base-Base interactions energy: -13.987 where: short stacking energy: -11.256 Base-Backbone interact. energy: -0.015 local terms energy: -21.408684 where: bonds (distance) C4'-P energy: -5.688 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.442 flat angles P-C4'-P energy: -2.959 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: 9, replica: 2 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -34.458657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.458657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.458657 (E_RNA) where: Base-Base interactions energy: -11.304 where: short stacking energy: -11.304 Base-Backbone interact. energy: -0.036 local terms energy: -23.118450 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -5.217 flat angles P-C4'-P energy: -3.200 tors. eta vs tors. theta energy: -4.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -31.529669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.529669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.529669 (E_RNA) where: Base-Base interactions energy: -9.151 where: short stacking energy: -9.151 Base-Backbone interact. energy: -0.011 local terms energy: -22.367997 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.096 flat angles P-C4'-P energy: -2.922 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: 1, replica: 9 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -46.337707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.337707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.337707 (E_RNA) where: Base-Base interactions energy: -21.785 where: short stacking energy: -21.785 Base-Backbone interact. energy: -0.000 local terms energy: -24.552223 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -4.582 flat angles P-C4'-P energy: -4.196 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: 2, replica: 3 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -39.292132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.292132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.292132 (E_RNA) where: Base-Base interactions energy: -18.398 where: short stacking energy: -18.398 Base-Backbone interact. energy: -0.093 local terms energy: -20.800696 where: bonds (distance) C4'-P energy: -4.409 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -4.279 flat angles P-C4'-P energy: -3.694 tors. eta vs tors. theta energy: -1.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -47.475868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.475868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.475868 (E_RNA) where: Base-Base interactions energy: -25.531 where: short stacking energy: -25.531 Base-Backbone interact. energy: -0.000 local terms energy: -21.945266 where: bonds (distance) C4'-P energy: -4.230 bonds (distance) P-C4' energy: -4.677 flat angles C4'-P-C4' energy: -5.655 flat angles P-C4'-P energy: -0.097 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: 4, replica: 10 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -47.250305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.250305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.250305 (E_RNA) where: Base-Base interactions energy: -23.300 where: short stacking energy: -23.300 Base-Backbone interact. energy: -0.000 local terms energy: -23.949992 where: bonds (distance) C4'-P energy: -2.169 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.796 flat angles P-C4'-P energy: -4.339 tors. eta vs tors. theta energy: -5.425 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: 4 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -37.422046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.422046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.422046 (E_RNA) where: Base-Base interactions energy: -12.322 where: short stacking energy: -6.112 Base-Backbone interact. energy: -0.069 local terms energy: -25.031916 where: bonds (distance) C4'-P energy: -5.303 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -6.627 flat angles P-C4'-P energy: -3.594 tors. eta vs tors. theta energy: -2.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -37.582049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.582049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.582049 (E_RNA) where: Base-Base interactions energy: -13.989 where: short stacking energy: -13.989 Base-Backbone interact. energy: -0.190 local terms energy: -23.403118 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -5.746 flat angles P-C4'-P energy: -4.846 tors. eta vs tors. theta energy: -1.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -44.902960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.902960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.902960 (E_RNA) where: Base-Base interactions energy: -21.292 where: short stacking energy: -21.292 Base-Backbone interact. energy: -0.000 local terms energy: -23.610702 where: bonds (distance) C4'-P energy: -3.415 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.978 flat angles P-C4'-P energy: -1.303 tors. eta vs tors. theta energy: -7.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -28.230097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.230097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.230097 (E_RNA) where: Base-Base interactions energy: -9.871 where: short stacking energy: -9.857 Base-Backbone interact. energy: -0.107 local terms energy: -18.252424 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -3.949 flat angles P-C4'-P energy: -5.086 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: 9, replica: 8 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -31.553491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.553491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.553491 (E_RNA) where: Base-Base interactions energy: -9.917 where: short stacking energy: -9.917 Base-Backbone interact. energy: -0.003 local terms energy: -21.633351 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -4.728 flat angles P-C4'-P energy: -3.177 tors. eta vs tors. theta energy: -1.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -33.709651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.709651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.709651 (E_RNA) where: Base-Base interactions energy: -11.570 where: short stacking energy: -11.570 Base-Backbone interact. energy: -0.013 local terms energy: -22.126111 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.266 flat angles P-C4'-P energy: -2.609 tors. eta vs tors. theta energy: -3.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -39.217465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.217465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.217465 (E_RNA) where: Base-Base interactions energy: -22.558 where: short stacking energy: -9.620 Base-Backbone interact. energy: -0.137 local terms energy: -16.522716 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -5.942 flat angles C4'-P-C4' energy: -5.928 flat angles P-C4'-P energy: -1.169 tors. eta vs tors. theta energy: 2.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -46.030492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.030492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.030492 (E_RNA) where: Base-Base interactions energy: -17.859 where: short stacking energy: -17.859 Base-Backbone interact. energy: -0.003 local terms energy: -28.168888 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -6.351 flat angles C4'-P-C4' energy: -5.484 flat angles P-C4'-P energy: -4.830 tors. eta vs tors. theta energy: -6.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -45.024250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.024250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.024250 (E_RNA) where: Base-Base interactions energy: -23.157 where: short stacking energy: -23.157 Base-Backbone interact. energy: -0.000 local terms energy: -21.867311 where: bonds (distance) C4'-P energy: -1.697 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -4.987 flat angles P-C4'-P energy: -3.667 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: 4, replica: 4 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -43.534505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.534505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.534505 (E_RNA) where: Base-Base interactions energy: -25.706 where: short stacking energy: -10.623 Base-Backbone interact. energy: -0.028 local terms energy: -17.800607 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -3.721 flat angles P-C4'-P energy: -2.541 tors. eta vs tors. theta energy: -0.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -38.948714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.948714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.948714 (E_RNA) where: Base-Base interactions energy: -15.808 where: short stacking energy: -15.808 Base-Backbone interact. energy: -0.046 local terms energy: -23.095282 where: bonds (distance) C4'-P energy: -3.175 bonds (distance) P-C4' energy: -5.945 flat angles C4'-P-C4' energy: -4.102 flat angles P-C4'-P energy: -4.829 tors. eta vs tors. theta energy: -5.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -43.704576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.704576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.704576 (E_RNA) where: Base-Base interactions energy: -22.498 where: short stacking energy: -20.791 Base-Backbone interact. energy: -0.000 local terms energy: -21.206417 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -3.536 flat angles C4'-P-C4' energy: -5.621 flat angles P-C4'-P energy: -2.551 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: 1 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -35.248728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.248728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.248728 (E_RNA) where: Base-Base interactions energy: -13.853 where: short stacking energy: -12.596 Base-Backbone interact. energy: -0.006 local terms energy: -21.390473 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -5.940 flat angles P-C4'-P energy: -4.224 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: 8, replica: 8 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -33.693303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.693303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.693303 (E_RNA) where: Base-Base interactions energy: -12.247 where: short stacking energy: -8.813 Base-Backbone interact. energy: -0.110 local terms energy: -21.336115 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -5.404 flat angles P-C4'-P energy: -4.404 tors. eta vs tors. theta energy: -0.718 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: 379 Temperature: 1.300000 Total energy: -33.598719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.598719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.598719 (E_RNA) where: Base-Base interactions energy: -8.240 where: short stacking energy: -8.240 Base-Backbone interact. energy: -0.000 local terms energy: -25.358624 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -5.273 flat angles C4'-P-C4' energy: -4.308 flat angles P-C4'-P energy: -5.429 tors. eta vs tors. theta energy: -4.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -36.911303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.911303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.911303 (E_RNA) where: Base-Base interactions energy: -16.149 where: short stacking energy: -16.149 Base-Backbone interact. energy: -0.096 local terms energy: -20.666554 where: bonds (distance) C4'-P energy: -3.841 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.104 flat angles P-C4'-P energy: -1.842 tors. eta vs tors. theta energy: -3.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -46.817888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.817888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.817888 (E_RNA) where: Base-Base interactions energy: -23.151 where: short stacking energy: -18.021 Base-Backbone interact. energy: -0.069 local terms energy: -23.598094 where: bonds (distance) C4'-P energy: -3.290 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.690 flat angles P-C4'-P energy: -4.668 tors. eta vs tors. theta energy: -4.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -46.625099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.625099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.625099 (E_RNA) where: Base-Base interactions energy: -24.510 where: short stacking energy: -17.651 Base-Backbone interact. energy: -0.085 local terms energy: -22.030308 where: bonds (distance) C4'-P energy: -3.485 bonds (distance) P-C4' energy: -6.118 flat angles C4'-P-C4' energy: -5.531 flat angles P-C4'-P energy: -3.349 tors. eta vs tors. theta energy: -3.547 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: 3, replica: 4 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -41.819327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.819327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.819327 (E_RNA) where: Base-Base interactions energy: -12.888 where: short stacking energy: -12.888 Base-Backbone interact. energy: -0.000 local terms energy: -28.931248 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.955 flat angles P-C4'-P energy: -4.866 tors. eta vs tors. theta energy: -5.532 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: 5 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -48.295595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.295595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.295595 (E_RNA) where: Base-Base interactions energy: -28.494 where: short stacking energy: -20.898 Base-Backbone interact. energy: -0.000 local terms energy: -19.801034 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -3.475 flat angles C4'-P-C4' energy: -5.324 flat angles P-C4'-P energy: -2.621 tors. eta vs tors. theta energy: -2.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -41.425871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.425871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.425871 (E_RNA) where: Base-Base interactions energy: -16.308 where: short stacking energy: -16.308 Base-Backbone interact. energy: -0.001 local terms energy: -25.117191 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -4.935 flat angles C4'-P-C4' energy: -6.217 flat angles P-C4'-P energy: -4.339 tors. eta vs tors. theta energy: -3.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -34.534242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.534242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.534242 (E_RNA) where: Base-Base interactions energy: -16.812 where: short stacking energy: -16.812 Base-Backbone interact. energy: -0.081 local terms energy: -17.641402 where: bonds (distance) C4'-P energy: -1.336 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -5.283 flat angles P-C4'-P energy: -1.868 tors. eta vs tors. theta energy: -2.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -32.539045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.539045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.539045 (E_RNA) where: Base-Base interactions energy: -12.003 where: short stacking energy: -12.003 Base-Backbone interact. energy: -0.015 local terms energy: -20.521017 where: bonds (distance) C4'-P energy: -5.096 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.551 flat angles P-C4'-P energy: -2.579 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: 8, replica: 1 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -36.237825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.237825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.237825 (E_RNA) where: Base-Base interactions energy: -10.711 where: short stacking energy: -8.254 Base-Backbone interact. energy: -0.097 local terms energy: -25.429838 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.060 flat angles P-C4'-P energy: -4.341 tors. eta vs tors. theta energy: -3.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -31.569983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.569983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.569983 (E_RNA) where: Base-Base interactions energy: -8.192 where: short stacking energy: -7.760 Base-Backbone interact. energy: -0.002 local terms energy: -23.375599 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -6.335 flat angles P-C4'-P energy: -2.614 tors. eta vs tors. theta energy: -1.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -27.694473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.694473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.694473 (E_RNA) where: Base-Base interactions energy: -8.434 where: short stacking energy: -8.434 Base-Backbone interact. energy: -0.008 local terms energy: -19.252535 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -5.886 flat angles P-C4'-P energy: -1.901 tors. eta vs tors. theta energy: 0.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -49.282358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.282358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.282358 (E_RNA) where: Base-Base interactions energy: -21.927 where: short stacking energy: -21.927 Base-Backbone interact. energy: -0.005 local terms energy: -27.350711 where: bonds (distance) C4'-P energy: -4.983 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -5.234 flat angles P-C4'-P energy: -4.594 tors. eta vs tors. theta energy: -5.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -53.499011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.499011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.499011 (E_RNA) where: Base-Base interactions energy: -25.462 where: short stacking energy: -25.462 Base-Backbone interact. energy: -0.000 local terms energy: -28.037391 where: bonds (distance) C4'-P energy: -4.913 bonds (distance) P-C4' energy: -5.653 flat angles C4'-P-C4' energy: -6.307 flat angles P-C4'-P energy: -3.413 tors. eta vs tors. theta energy: -7.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -40.934635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.934635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.934635 (E_RNA) where: Base-Base interactions energy: -17.413 where: short stacking energy: -17.413 Base-Backbone interact. energy: -0.000 local terms energy: -23.521783 where: bonds (distance) C4'-P energy: -4.512 bonds (distance) P-C4' energy: -5.273 flat angles C4'-P-C4' energy: -5.750 flat angles P-C4'-P energy: -3.710 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: 4, replica: 7 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -49.383062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.383062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.383062 (E_RNA) where: Base-Base interactions energy: -23.743 where: short stacking energy: -23.743 Base-Backbone interact. energy: -0.000 local terms energy: -25.640236 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -4.373 flat angles C4'-P-C4' energy: -6.008 flat angles P-C4'-P energy: -4.263 tors. eta vs tors. theta energy: -5.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -43.533912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.533912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.533912 (E_RNA) where: Base-Base interactions energy: -20.439 where: short stacking energy: -20.439 Base-Backbone interact. energy: -0.042 local terms energy: -23.053678 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -3.573 flat angles C4'-P-C4' energy: -4.669 flat angles P-C4'-P energy: -4.380 tors. eta vs tors. theta energy: -4.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -46.702539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.702539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.702539 (E_RNA) where: Base-Base interactions energy: -20.228 where: short stacking energy: -20.228 Base-Backbone interact. energy: -0.000 local terms energy: -26.474646 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.990 flat angles P-C4'-P energy: -5.374 tors. eta vs tors. theta energy: -3.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -41.519200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.519200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.519200 (E_RNA) where: Base-Base interactions energy: -17.825 where: short stacking energy: -17.825 Base-Backbone interact. energy: -0.000 local terms energy: -23.694086 where: bonds (distance) C4'-P energy: -4.515 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -5.763 flat angles P-C4'-P energy: -3.398 tors. eta vs tors. theta energy: -4.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -37.025948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.025948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.025948 (E_RNA) where: Base-Base interactions energy: -17.302 where: short stacking energy: -10.014 Base-Backbone interact. energy: -0.033 local terms energy: -19.691785 where: bonds (distance) C4'-P energy: -4.665 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -4.549 flat angles P-C4'-P energy: -3.560 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: 9, replica: 1 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -33.028918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.028918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.028918 (E_RNA) where: Base-Base interactions energy: -12.454 where: short stacking energy: -12.454 Base-Backbone interact. energy: -0.102 local terms energy: -20.473094 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -5.085 flat angles C4'-P-C4' energy: -1.291 flat angles P-C4'-P energy: -4.852 tors. eta vs tors. theta energy: -3.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -36.643732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.643732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.643732 (E_RNA) where: Base-Base interactions energy: -16.524 where: short stacking energy: -13.286 Base-Backbone interact. energy: -0.054 local terms energy: -20.065197 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -4.690 flat angles C4'-P-C4' energy: -5.092 flat angles P-C4'-P energy: -2.112 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: 1, replica: 9 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -51.930049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.930049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.930049 (E_RNA) where: Base-Base interactions energy: -25.488 where: short stacking energy: -25.488 Base-Backbone interact. energy: -0.000 local terms energy: -26.441975 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -5.699 flat angles C4'-P-C4' energy: -4.867 flat angles P-C4'-P energy: -3.502 tors. eta vs tors. theta energy: -7.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -46.737616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.737616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.737616 (E_RNA) where: Base-Base interactions energy: -20.267 where: short stacking energy: -20.267 Base-Backbone interact. energy: -0.000 local terms energy: -26.471048 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -5.468 flat angles P-C4'-P energy: -4.298 tors. eta vs tors. theta energy: -4.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -43.142941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.142941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.142941 (E_RNA) where: Base-Base interactions energy: -18.005 where: short stacking energy: -18.005 Base-Backbone interact. energy: -0.002 local terms energy: -25.135299 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -6.504 flat angles P-C4'-P energy: -4.421 tors. eta vs tors. theta energy: -2.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -41.493489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.493489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.493489 (E_RNA) where: Base-Base interactions energy: -18.178 where: short stacking energy: -13.168 Base-Backbone interact. energy: -0.721 local terms energy: -22.594077 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -6.358 flat angles C4'-P-C4' energy: -4.482 flat angles P-C4'-P energy: -4.852 tors. eta vs tors. theta energy: -2.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -48.326494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.326494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.326494 (E_RNA) where: Base-Base interactions energy: -19.618 where: short stacking energy: -19.618 Base-Backbone interact. energy: -0.000 local terms energy: -28.708633 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -5.678 flat angles C4'-P-C4' energy: -6.147 flat angles P-C4'-P energy: -5.363 tors. eta vs tors. theta energy: -5.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -37.521465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.521465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.521465 (E_RNA) where: Base-Base interactions energy: -17.811 where: short stacking energy: -17.811 Base-Backbone interact. energy: -0.014 local terms energy: -19.696971 where: bonds (distance) C4'-P energy: -3.316 bonds (distance) P-C4' energy: -4.300 flat angles C4'-P-C4' energy: -4.891 flat angles P-C4'-P energy: -4.065 tors. eta vs tors. theta energy: -3.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -38.647731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.647731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.647731 (E_RNA) where: Base-Base interactions energy: -24.794 where: short stacking energy: -18.870 Base-Backbone interact. energy: 0.093 local terms energy: -13.947498 where: bonds (distance) C4'-P energy: -2.640 bonds (distance) P-C4' energy: -4.617 flat angles C4'-P-C4' energy: -5.672 flat angles P-C4'-P energy: 0.934 tors. eta vs tors. theta energy: -1.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -39.982358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.982358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.982358 (E_RNA) where: Base-Base interactions energy: -17.104 where: short stacking energy: -17.125 Base-Backbone interact. energy: -0.013 local terms energy: -22.865813 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -3.312 flat angles C4'-P-C4' energy: -5.383 flat angles P-C4'-P energy: -4.618 tors. eta vs tors. theta energy: -4.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -36.886959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.886959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.886959 (E_RNA) where: Base-Base interactions energy: -13.322 where: short stacking energy: -13.322 Base-Backbone interact. energy: -0.000 local terms energy: -23.564559 where: bonds (distance) C4'-P energy: -3.783 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -5.977 flat angles P-C4'-P energy: -4.531 tors. eta vs tors. theta energy: -3.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -34.728227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.728227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.728227 (E_RNA) where: Base-Base interactions energy: -10.482 where: short stacking energy: -10.482 Base-Backbone interact. energy: -0.012 local terms energy: -24.233586 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -6.889 flat angles C4'-P-C4' energy: -5.354 flat angles P-C4'-P energy: -4.013 tors. eta vs tors. theta energy: -2.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -53.828413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.828413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.828413 (E_RNA) where: Base-Base interactions energy: -26.254 where: short stacking energy: -26.254 Base-Backbone interact. energy: -0.000 local terms energy: -27.574527 where: bonds (distance) C4'-P energy: -3.600 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.793 flat angles P-C4'-P energy: -4.277 tors. eta vs tors. theta energy: -7.712 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: 7 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -45.733626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.733626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.733626 (E_RNA) where: Base-Base interactions energy: -21.942 where: short stacking energy: -21.942 Base-Backbone interact. energy: -0.023 local terms energy: -23.768714 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.744 flat angles P-C4'-P energy: -5.063 tors. eta vs tors. theta energy: -3.028 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: 3 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -39.168582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.168582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.168582 (E_RNA) where: Base-Base interactions energy: -18.031 where: short stacking energy: -18.031 Base-Backbone interact. energy: -0.007 local terms energy: -21.130414 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -2.305 flat angles P-C4'-P energy: -3.970 tors. eta vs tors. theta energy: -2.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -40.887574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.887574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.887574 (E_RNA) where: Base-Base interactions energy: -15.903 where: short stacking energy: -15.903 Base-Backbone interact. energy: -0.000 local terms energy: -24.984549 where: bonds (distance) C4'-P energy: -4.516 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.964 flat angles P-C4'-P energy: -3.513 tors. eta vs tors. theta energy: -4.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -43.064281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.064281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.064281 (E_RNA) where: Base-Base interactions energy: -17.996 where: short stacking energy: -17.996 Base-Backbone interact. energy: 0.269 local terms energy: -25.337252 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.746 flat angles P-C4'-P energy: -2.943 tors. eta vs tors. theta energy: -4.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -41.464621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.464621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.464621 (E_RNA) where: Base-Base interactions energy: -19.455 where: short stacking energy: -5.811 Base-Backbone interact. energy: -0.667 local terms energy: -21.342064 where: bonds (distance) C4'-P energy: -4.400 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -5.183 flat angles P-C4'-P energy: -5.487 tors. eta vs tors. theta energy: 0.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -38.104643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.104643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.104643 (E_RNA) where: Base-Base interactions energy: -16.170 where: short stacking energy: -14.001 Base-Backbone interact. energy: -0.002 local terms energy: -21.932027 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -5.330 flat angles C4'-P-C4' energy: -5.798 flat angles P-C4'-P energy: -3.627 tors. eta vs tors. theta energy: -1.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -34.337546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.337546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.337546 (E_RNA) where: Base-Base interactions energy: -11.126 where: short stacking energy: -11.126 Base-Backbone interact. energy: -0.047 local terms energy: -23.164711 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -6.918 flat angles C4'-P-C4' energy: -5.780 flat angles P-C4'-P energy: -1.542 tors. eta vs tors. theta energy: -2.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -39.555125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.555125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.555125 (E_RNA) where: Base-Base interactions energy: -18.267 where: short stacking energy: -18.267 Base-Backbone interact. energy: -0.017 local terms energy: -21.271499 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -5.699 flat angles C4'-P-C4' energy: -6.008 flat angles P-C4'-P energy: -1.439 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: 10, replica: 1 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -29.768418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.768418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.768418 (E_RNA) where: Base-Base interactions energy: -7.405 where: short stacking energy: -7.405 Base-Backbone interact. energy: -0.062 local terms energy: -22.301964 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.424 flat angles P-C4'-P energy: -3.332 tors. eta vs tors. theta energy: -0.049 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: 7 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -47.541268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.541268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.541268 (E_RNA) where: Base-Base interactions energy: -21.866 where: short stacking energy: -21.866 Base-Backbone interact. energy: -0.000 local terms energy: -25.675402 where: bonds (distance) C4'-P energy: -6.362 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -5.955 flat angles P-C4'-P energy: -3.857 tors. eta vs tors. theta energy: -4.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -45.490070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.490070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.490070 (E_RNA) where: Base-Base interactions energy: -20.043 where: short stacking energy: -20.043 Base-Backbone interact. energy: -0.000 local terms energy: -25.446958 where: bonds (distance) C4'-P energy: -5.096 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.303 flat angles P-C4'-P energy: -3.149 tors. eta vs tors. theta energy: -5.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -47.886572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.886572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.886572 (E_RNA) where: Base-Base interactions energy: -22.291 where: short stacking energy: -22.291 Base-Backbone interact. energy: -0.000 local terms energy: -25.595736 where: bonds (distance) C4'-P energy: -3.125 bonds (distance) P-C4' energy: -5.435 flat angles C4'-P-C4' energy: -6.222 flat angles P-C4'-P energy: -4.096 tors. eta vs tors. theta energy: -6.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -36.902291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.902291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.902291 (E_RNA) where: Base-Base interactions energy: -16.705 where: short stacking energy: -16.705 Base-Backbone interact. energy: -0.001 local terms energy: -20.196779 where: bonds (distance) C4'-P energy: -4.027 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -3.920 flat angles P-C4'-P energy: -1.198 tors. eta vs tors. theta energy: -4.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -38.996907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.996907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.996907 (E_RNA) where: Base-Base interactions energy: -16.571 where: short stacking energy: -15.445 Base-Backbone interact. energy: -0.100 local terms energy: -22.325995 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -5.435 flat angles C4'-P-C4' energy: -4.099 flat angles P-C4'-P energy: -1.546 tors. eta vs tors. theta energy: -5.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -38.777229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.777229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.777229 (E_RNA) where: Base-Base interactions energy: -16.056 where: short stacking energy: -16.056 Base-Backbone interact. energy: -0.007 local terms energy: -22.714912 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -4.605 flat angles P-C4'-P energy: -3.068 tors. eta vs tors. theta energy: -3.094 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: 6 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -47.753977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.753977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.753977 (E_RNA) where: Base-Base interactions energy: -22.521 where: short stacking energy: -22.521 Base-Backbone interact. energy: -0.000 local terms energy: -25.233000 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -5.864 flat angles C4'-P-C4' energy: -5.603 flat angles P-C4'-P energy: -4.716 tors. eta vs tors. theta energy: -3.594 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: 384 Temperature: 1.250000 Total energy: -38.553224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.553224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.553224 (E_RNA) where: Base-Base interactions energy: -17.735 where: short stacking energy: -16.700 Base-Backbone interact. energy: -0.062 local terms energy: -20.756599 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -4.522 flat angles C4'-P-C4' energy: -4.975 flat angles P-C4'-P energy: -2.902 tors. eta vs tors. theta energy: -2.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -34.503289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.503289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.503289 (E_RNA) where: Base-Base interactions energy: -14.527 where: short stacking energy: -14.527 Base-Backbone interact. energy: -0.069 local terms energy: -19.907998 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.350 flat angles P-C4'-P energy: -4.684 tors. eta vs tors. theta energy: 0.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -34.954475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.954475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.954475 (E_RNA) where: Base-Base interactions energy: -23.148 where: short stacking energy: -5.061 Base-Backbone interact. energy: -0.047 local terms energy: -11.760026 where: bonds (distance) C4'-P energy: -4.735 bonds (distance) P-C4' energy: -5.432 flat angles C4'-P-C4' energy: -0.916 flat angles P-C4'-P energy: -3.151 tors. eta vs tors. theta energy: 2.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -43.834457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.834457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.834457 (E_RNA) where: Base-Base interactions energy: -19.198 where: short stacking energy: -19.198 Base-Backbone interact. energy: -0.004 local terms energy: -24.632114 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -5.498 flat angles P-C4'-P energy: -4.270 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: 2, replica: 9 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -50.182933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.182933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.182933 (E_RNA) where: Base-Base interactions energy: -23.071 where: short stacking energy: -23.071 Base-Backbone interact. energy: -0.000 local terms energy: -27.111906 where: bonds (distance) C4'-P energy: -3.717 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.470 flat angles P-C4'-P energy: -4.488 tors. eta vs tors. theta energy: -5.987 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: 5 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -40.382477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.382477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.382477 (E_RNA) where: Base-Base interactions energy: -16.094 where: short stacking energy: -16.094 Base-Backbone interact. energy: -0.000 local terms energy: -24.288007 where: bonds (distance) C4'-P energy: -5.277 bonds (distance) P-C4' energy: -6.355 flat angles C4'-P-C4' energy: -6.569 flat angles P-C4'-P energy: -2.872 tors. eta vs tors. theta energy: -3.215 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: 8 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -42.768082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.768082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.768082 (E_RNA) where: Base-Base interactions energy: -24.939 where: short stacking energy: -11.763 Base-Backbone interact. energy: -0.010 local terms energy: -17.818652 where: bonds (distance) C4'-P energy: -1.660 bonds (distance) P-C4' energy: -7.147 flat angles C4'-P-C4' energy: -4.865 flat angles P-C4'-P energy: -2.087 tors. eta vs tors. theta energy: -2.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -42.904589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.904589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.904589 (E_RNA) where: Base-Base interactions energy: -19.630 where: short stacking energy: -19.630 Base-Backbone interact. energy: -0.000 local terms energy: -23.275038 where: bonds (distance) C4'-P energy: -4.647 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.138 flat angles P-C4'-P energy: -1.602 tors. eta vs tors. theta energy: -5.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -34.518150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.518150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.518150 (E_RNA) where: Base-Base interactions energy: -14.985 where: short stacking energy: -14.985 Base-Backbone interact. energy: 0.053 local terms energy: -19.586782 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -5.446 flat angles P-C4'-P energy: -2.168 tors. eta vs tors. theta energy: 0.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -46.925482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.925482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.925482 (E_RNA) where: Base-Base interactions energy: -18.825 where: short stacking energy: -18.406 Base-Backbone interact. energy: -0.000 local terms energy: -28.100395 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -5.678 flat angles C4'-P-C4' energy: -5.071 flat angles P-C4'-P energy: -3.944 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: 1 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -34.438353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.438353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.438353 (E_RNA) where: Base-Base interactions energy: -9.426 where: short stacking energy: -9.426 Base-Backbone interact. energy: -0.001 local terms energy: -25.011160 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.657 flat angles P-C4'-P energy: -3.153 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: 9, replica: 2 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -35.762357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.762357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.762357 (E_RNA) where: Base-Base interactions energy: -15.577 where: short stacking energy: -15.577 Base-Backbone interact. energy: -0.006 local terms energy: -20.179614 where: bonds (distance) C4'-P energy: -1.515 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.649 flat angles P-C4'-P energy: -4.395 tors. eta vs tors. theta energy: -2.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -31.966312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.966312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.966312 (E_RNA) where: Base-Base interactions energy: -12.639 where: short stacking energy: -12.639 Base-Backbone interact. energy: -0.007 local terms energy: -19.320355 where: bonds (distance) C4'-P energy: -4.871 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -2.994 flat angles P-C4'-P energy: -4.260 tors. eta vs tors. theta energy: -1.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -46.601466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.601466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.601466 (E_RNA) where: Base-Base interactions energy: -20.643 where: short stacking energy: -20.643 Base-Backbone interact. energy: -0.000 local terms energy: -25.958747 where: bonds (distance) C4'-P energy: -6.577 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.620 flat angles P-C4'-P energy: -3.666 tors. eta vs tors. theta energy: -3.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -44.805442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.805442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.805442 (E_RNA) where: Base-Base interactions energy: -19.632 where: short stacking energy: -19.632 Base-Backbone interact. energy: -0.000 local terms energy: -25.173649 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -5.821 flat angles P-C4'-P energy: -2.637 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: 3, replica: 8 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -40.038882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.038882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.038882 (E_RNA) where: Base-Base interactions energy: -16.907 where: short stacking energy: -16.907 Base-Backbone interact. energy: -0.053 local terms energy: -23.078947 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -4.350 flat angles P-C4'-P energy: -3.809 tors. eta vs tors. theta energy: -3.369 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: 5 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -42.020231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.020231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.020231 (E_RNA) where: Base-Base interactions energy: -16.787 where: short stacking energy: -16.787 Base-Backbone interact. energy: -0.000 local terms energy: -25.233564 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -5.052 flat angles P-C4'-P energy: -2.929 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: 5, replica: 6 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -35.667940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.667940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.667940 (E_RNA) where: Base-Base interactions energy: -11.500 where: short stacking energy: -11.500 Base-Backbone interact. energy: -0.002 local terms energy: -24.165715 where: bonds (distance) C4'-P energy: -3.167 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.205 flat angles P-C4'-P energy: -4.275 tors. eta vs tors. theta energy: -4.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -35.665241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.665241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.665241 (E_RNA) where: Base-Base interactions energy: -10.642 where: short stacking energy: -10.642 Base-Backbone interact. energy: -0.025 local terms energy: -24.998430 where: bonds (distance) C4'-P energy: -4.931 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -5.790 flat angles P-C4'-P energy: -3.194 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: 7, replica: 1 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -31.606304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.606304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.606304 (E_RNA) where: Base-Base interactions energy: -10.994 where: short stacking energy: -10.994 Base-Backbone interact. energy: -0.092 local terms energy: -20.520561 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -5.308 flat angles C4'-P-C4' energy: -3.060 flat angles P-C4'-P energy: -3.533 tors. eta vs tors. theta energy: -3.723 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: 4 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -46.242296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.242296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.242296 (E_RNA) where: Base-Base interactions energy: -20.620 where: short stacking energy: -20.620 Base-Backbone interact. energy: -0.000 local terms energy: -25.622478 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -4.260 flat angles C4'-P-C4' energy: -4.153 flat angles P-C4'-P energy: -4.490 tors. eta vs tors. theta energy: -6.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -31.922376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.922376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.922376 (E_RNA) where: Base-Base interactions energy: -8.976 where: short stacking energy: -8.976 Base-Backbone interact. energy: -0.060 local terms energy: -22.886022 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -5.124 flat angles P-C4'-P energy: -3.190 tors. eta vs tors. theta energy: -1.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -33.229033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.229033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.229033 (E_RNA) where: Base-Base interactions energy: -12.486 where: short stacking energy: -12.486 Base-Backbone interact. energy: -0.020 local terms energy: -20.722804 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -4.530 flat angles C4'-P-C4' energy: -4.162 flat angles P-C4'-P energy: -4.389 tors. eta vs tors. theta energy: -2.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -58.976168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.976168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.976168 (E_RNA) where: Base-Base interactions energy: -31.642 where: short stacking energy: -19.294 Base-Backbone interact. energy: -0.014 local terms energy: -27.320000 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -6.023 flat angles P-C4'-P energy: -3.274 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: 2, replica: 8 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -49.635388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.635388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.635388 (E_RNA) where: Base-Base interactions energy: -21.503 where: short stacking energy: -21.503 Base-Backbone interact. energy: -0.000 local terms energy: -28.132010 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -4.821 flat angles C4'-P-C4' energy: -6.356 flat angles P-C4'-P energy: -4.611 tors. eta vs tors. theta energy: -6.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -37.472062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.472062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.472062 (E_RNA) where: Base-Base interactions energy: -13.374 where: short stacking energy: -13.374 Base-Backbone interact. energy: -0.007 local terms energy: -24.090648 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.864 flat angles P-C4'-P energy: -5.187 tors. eta vs tors. theta energy: -1.927 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: 5 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -46.696984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.696984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.696984 (E_RNA) where: Base-Base interactions energy: -22.262 where: short stacking energy: -21.907 Base-Backbone interact. energy: -0.002 local terms energy: -24.432974 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.491 flat angles P-C4'-P energy: -2.381 tors. eta vs tors. theta energy: -5.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -36.805191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.805191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.805191 (E_RNA) where: Base-Base interactions energy: -12.725 where: short stacking energy: -12.725 Base-Backbone interact. energy: -0.027 local terms energy: -24.052729 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -4.983 flat angles P-C4'-P energy: -5.533 tors. eta vs tors. theta energy: -2.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -36.776957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.776957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.776957 (E_RNA) where: Base-Base interactions energy: -15.922 where: short stacking energy: -15.922 Base-Backbone interact. energy: -0.089 local terms energy: -20.765761 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.107 flat angles C4'-P-C4' energy: -4.066 flat angles P-C4'-P energy: -2.565 tors. eta vs tors. theta energy: -3.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -41.871147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.871147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.871147 (E_RNA) where: Base-Base interactions energy: -18.575 where: short stacking energy: -18.575 Base-Backbone interact. energy: -0.001 local terms energy: -23.295909 where: bonds (distance) C4'-P energy: -3.353 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -2.871 flat angles P-C4'-P energy: -2.736 tors. eta vs tors. theta energy: -7.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -36.116658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.116658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.116658 (E_RNA) where: Base-Base interactions energy: -12.743 where: short stacking energy: -12.743 Base-Backbone interact. energy: -0.015 local terms energy: -23.358467 where: bonds (distance) C4'-P energy: -3.928 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.304 flat angles P-C4'-P energy: -3.417 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: 9, replica: 4 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -34.341751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.341751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.341751 (E_RNA) where: Base-Base interactions energy: -20.610 where: short stacking energy: -5.554 Base-Backbone interact. energy: -0.131 local terms energy: -13.600765 where: bonds (distance) C4'-P energy: -2.107 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -5.343 flat angles P-C4'-P energy: -3.144 tors. eta vs tors. theta energy: 3.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -28.950111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.950111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.950111 (E_RNA) where: Base-Base interactions energy: -10.057 where: short stacking energy: -6.304 Base-Backbone interact. energy: -0.274 local terms energy: -18.618478 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -5.165 flat angles P-C4'-P energy: -1.040 tors. eta vs tors. theta energy: -1.461 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: 1, replica: 9 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -54.178962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.178962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.178962 (E_RNA) where: Base-Base interactions energy: -30.026 where: short stacking energy: -16.382 Base-Backbone interact. energy: -0.023 local terms energy: -24.130109 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -6.223 flat angles P-C4'-P energy: -2.264 tors. eta vs tors. theta energy: -3.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -56.896115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.896115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.896115 (E_RNA) where: Base-Base interactions energy: -26.942 where: short stacking energy: -26.942 Base-Backbone interact. energy: -0.000 local terms energy: -29.954148 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -6.180 flat angles P-C4'-P energy: -3.106 tors. eta vs tors. theta energy: -7.716 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: 388 Temperature: 1.000000 Total energy: -48.909144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.909144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.909144 (E_RNA) where: Base-Base interactions energy: -23.735 where: short stacking energy: -23.735 Base-Backbone interact. energy: -0.000 local terms energy: -25.173867 where: bonds (distance) C4'-P energy: -3.833 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -6.152 flat angles P-C4'-P energy: -2.357 tors. eta vs tors. theta energy: -6.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -42.477842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.477842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.477842 (E_RNA) where: Base-Base interactions energy: -16.761 where: short stacking energy: -16.761 Base-Backbone interact. energy: -0.001 local terms energy: -25.715491 where: bonds (distance) C4'-P energy: -5.253 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.885 flat angles P-C4'-P energy: -4.593 tors. eta vs tors. theta energy: -3.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -35.453332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.453332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.453332 (E_RNA) where: Base-Base interactions energy: -10.435 where: short stacking energy: -10.435 Base-Backbone interact. energy: -0.349 local terms energy: -24.668797 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.732 flat angles P-C4'-P energy: -4.865 tors. eta vs tors. theta energy: -1.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -36.972421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.972421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.972421 (E_RNA) where: Base-Base interactions energy: -17.226 where: short stacking energy: -14.381 Base-Backbone interact. energy: -0.000 local terms energy: -19.746408 where: bonds (distance) C4'-P energy: -1.414 bonds (distance) P-C4' energy: -5.110 flat angles C4'-P-C4' energy: -6.591 flat angles P-C4'-P energy: -3.044 tors. eta vs tors. theta energy: -3.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -35.698598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.698598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.698598 (E_RNA) where: Base-Base interactions energy: -13.291 where: short stacking energy: -13.291 Base-Backbone interact. energy: -0.001 local terms energy: -22.406521 where: bonds (distance) C4'-P energy: -5.277 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -4.309 flat angles P-C4'-P energy: -3.727 tors. eta vs tors. theta energy: -2.195 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: 8, replica: 1 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -36.463312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.463312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.463312 (E_RNA) where: Base-Base interactions energy: -17.771 where: short stacking energy: -14.260 Base-Backbone interact. energy: -0.006 local terms energy: -18.687045 where: bonds (distance) C4'-P energy: -4.434 bonds (distance) P-C4' energy: -5.762 flat angles C4'-P-C4' energy: -3.198 flat angles P-C4'-P energy: -3.824 tors. eta vs tors. theta energy: -1.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -30.438840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.438840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.438840 (E_RNA) where: Base-Base interactions energy: -8.939 where: short stacking energy: -8.939 Base-Backbone interact. energy: -0.002 local terms energy: -21.497333 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -5.779 flat angles P-C4'-P energy: -3.056 tors. eta vs tors. theta energy: -0.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -32.386593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.386593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.386593 (E_RNA) where: Base-Base interactions energy: -12.667 where: short stacking energy: -10.444 Base-Backbone interact. energy: -0.001 local terms energy: -19.718282 where: bonds (distance) C4'-P energy: -3.407 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.012 flat angles P-C4'-P energy: -3.424 tors. eta vs tors. theta energy: 0.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -50.689704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.689704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.689704 (E_RNA) where: Base-Base interactions energy: -25.272 where: short stacking energy: -25.272 Base-Backbone interact. energy: -0.000 local terms energy: -25.417686 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -6.677 flat angles P-C4'-P energy: -1.050 tors. eta vs tors. theta energy: -6.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -50.631712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.631712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.631712 (E_RNA) where: Base-Base interactions energy: -21.025 where: short stacking energy: -21.025 Base-Backbone interact. energy: -0.000 local terms energy: -29.607015 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -6.172 flat angles P-C4'-P energy: -4.627 tors. eta vs tors. theta energy: -6.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -45.170318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.170318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.170318 (E_RNA) where: Base-Base interactions energy: -18.884 where: short stacking energy: -18.884 Base-Backbone interact. energy: -0.000 local terms energy: -26.286133 where: bonds (distance) C4'-P energy: -5.117 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -4.878 flat angles P-C4'-P energy: -5.374 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: 4, replica: 7 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -36.578797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.578797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.578797 (E_RNA) where: Base-Base interactions energy: -16.268 where: short stacking energy: -12.262 Base-Backbone interact. energy: -0.001 local terms energy: -20.309284 where: bonds (distance) C4'-P energy: -2.471 bonds (distance) P-C4' energy: -5.604 flat angles C4'-P-C4' energy: -4.395 flat angles P-C4'-P energy: -5.269 tors. eta vs tors. theta energy: -2.572 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: 3 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -37.179733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.179733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.179733 (E_RNA) where: Base-Base interactions energy: -16.749 where: short stacking energy: -11.379 Base-Backbone interact. energy: -0.001 local terms energy: -20.429047 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -5.945 flat angles C4'-P-C4' energy: -4.947 flat angles P-C4'-P energy: -4.824 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: 6, replica: 10 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -40.791763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.791763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.791763 (E_RNA) where: Base-Base interactions energy: -18.158 where: short stacking energy: -18.158 Base-Backbone interact. energy: -0.071 local terms energy: -22.563553 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -3.731 flat angles C4'-P-C4' energy: -5.194 flat angles P-C4'-P energy: -2.691 tors. eta vs tors. theta energy: -5.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -37.519279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.519279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.519279 (E_RNA) where: Base-Base interactions energy: -17.396 where: short stacking energy: -17.396 Base-Backbone interact. energy: -0.004 local terms energy: -20.119356 where: bonds (distance) C4'-P energy: -3.278 bonds (distance) P-C4' energy: -4.402 flat angles C4'-P-C4' energy: -5.580 flat angles P-C4'-P energy: -3.558 tors. eta vs tors. theta energy: -3.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -34.323534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.323534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.323534 (E_RNA) where: Base-Base interactions energy: -20.036 where: short stacking energy: -13.840 Base-Backbone interact. energy: -0.001 local terms energy: -14.286511 where: bonds (distance) C4'-P energy: -4.515 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -2.470 flat angles P-C4'-P energy: -1.400 tors. eta vs tors. theta energy: -0.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -28.298538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.298538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.298538 (E_RNA) where: Base-Base interactions energy: -6.918 where: short stacking energy: -6.918 Base-Backbone interact. energy: 0.031 local terms energy: -21.410999 where: bonds (distance) C4'-P energy: -4.205 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -6.019 flat angles P-C4'-P energy: -4.573 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: 4 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -33.727900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.727900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.727900 (E_RNA) where: Base-Base interactions energy: -12.058 where: short stacking energy: -12.058 Base-Backbone interact. energy: -0.003 local terms energy: -21.667504 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -3.419 flat angles P-C4'-P energy: -2.012 tors. eta vs tors. theta energy: -4.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -56.276196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.276196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.276196 (E_RNA) where: Base-Base interactions energy: -26.690 where: short stacking energy: -26.690 Base-Backbone interact. energy: -0.000 local terms energy: -29.585748 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.181 flat angles C4'-P-C4' energy: -6.289 flat angles P-C4'-P energy: -4.430 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: 2, replica: 9 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -50.132759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.132759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.132759 (E_RNA) where: Base-Base interactions energy: -25.920 where: short stacking energy: -20.431 Base-Backbone interact. energy: -0.001 local terms energy: -24.212470 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.216 flat angles P-C4'-P energy: -2.968 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: 3, replica: 7 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -50.787217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.787217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.787217 (E_RNA) where: Base-Base interactions energy: -27.281 where: short stacking energy: -11.620 Base-Backbone interact. energy: -0.190 local terms energy: -23.316163 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.028 flat angles P-C4'-P energy: -2.165 tors. eta vs tors. theta energy: -2.673 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: 390 Temperature: 1.050000 Total energy: -43.498509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.498509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.498509 (E_RNA) where: Base-Base interactions energy: -18.951 where: short stacking energy: -18.951 Base-Backbone interact. energy: -0.000 local terms energy: -24.547902 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -3.389 flat angles C4'-P-C4' energy: -4.388 flat angles P-C4'-P energy: -5.032 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: 5, replica: 10 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -39.435817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.435817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.435817 (E_RNA) where: Base-Base interactions energy: -13.918 where: short stacking energy: -13.918 Base-Backbone interact. energy: -0.000 local terms energy: -25.518054 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.707 flat angles P-C4'-P energy: -3.802 tors. eta vs tors. theta energy: -3.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -45.644015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.644015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.644015 (E_RNA) where: Base-Base interactions energy: -20.966 where: short stacking energy: -20.966 Base-Backbone interact. energy: -0.001 local terms energy: -24.677906 where: bonds (distance) C4'-P energy: -5.625 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -4.340 flat angles P-C4'-P energy: -3.519 tors. eta vs tors. theta energy: -4.322 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: 2 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -31.407625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.407625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.407625 (E_RNA) where: Base-Base interactions energy: -8.893 where: short stacking energy: -8.893 Base-Backbone interact. energy: -0.010 local terms energy: -22.503927 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -4.647 flat angles P-C4'-P energy: -4.560 tors. eta vs tors. theta energy: -2.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -36.534493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.534493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.534493 (E_RNA) where: Base-Base interactions energy: -14.043 where: short stacking energy: -14.043 Base-Backbone interact. energy: -0.001 local terms energy: -22.490447 where: bonds (distance) C4'-P energy: -4.064 bonds (distance) P-C4' energy: -4.920 flat angles C4'-P-C4' energy: -5.833 flat angles P-C4'-P energy: -1.900 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: 9, replica: 4 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -43.533926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.533926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.533926 (E_RNA) where: Base-Base interactions energy: -18.155 where: short stacking energy: -18.155 Base-Backbone interact. energy: -0.000 local terms energy: -25.379294 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.514 flat angles P-C4'-P energy: -4.218 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: 10, replica: 1 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -31.904042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.904042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.904042 (E_RNA) where: Base-Base interactions energy: -12.546 where: short stacking energy: -12.546 Base-Backbone interact. energy: -0.138 local terms energy: -19.219675 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -4.931 flat angles P-C4'-P energy: -1.278 tors. eta vs tors. theta energy: -1.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -56.589425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.589425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.589425 (E_RNA) where: Base-Base interactions energy: -26.077 where: short stacking energy: -26.077 Base-Backbone interact. energy: -0.000 local terms energy: -30.511950 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -6.608 flat angles P-C4'-P energy: -3.610 tors. eta vs tors. theta energy: -7.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -53.537808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.537808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.537808 (E_RNA) where: Base-Base interactions energy: -29.051 where: short stacking energy: -12.446 Base-Backbone interact. energy: -0.427 local terms energy: -24.059009 where: bonds (distance) C4'-P energy: -5.099 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -3.971 flat angles P-C4'-P energy: -5.167 tors. eta vs tors. theta energy: -3.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -47.634661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.634661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.634661 (E_RNA) where: Base-Base interactions energy: -29.595 where: short stacking energy: -16.210 Base-Backbone interact. energy: -0.006 local terms energy: -18.033313 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -2.472 flat angles P-C4'-P energy: -3.375 tors. eta vs tors. theta energy: -1.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -40.684835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.684835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.684835 (E_RNA) where: Base-Base interactions energy: -16.216 where: short stacking energy: -16.247 Base-Backbone interact. energy: -1.201 local terms energy: -23.267715 where: bonds (distance) C4'-P energy: -6.362 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -5.871 flat angles P-C4'-P energy: -2.751 tors. eta vs tors. theta energy: -2.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -35.736304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.736304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.736304 (E_RNA) where: Base-Base interactions energy: -12.156 where: short stacking energy: -12.156 Base-Backbone interact. energy: -0.005 local terms energy: -23.575801 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -5.449 flat angles P-C4'-P energy: -3.744 tors. eta vs tors. theta energy: -2.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -42.524747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.524747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.524747 (E_RNA) where: Base-Base interactions energy: -14.144 where: short stacking energy: -14.144 Base-Backbone interact. energy: -0.012 local terms energy: -28.368934 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -5.846 flat angles P-C4'-P energy: -4.957 tors. eta vs tors. theta energy: -5.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -32.219548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.219548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.219548 (E_RNA) where: Base-Base interactions energy: -12.387 where: short stacking energy: -12.387 Base-Backbone interact. energy: -0.010 local terms energy: -19.822133 where: bonds (distance) C4'-P energy: -3.547 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -4.724 flat angles P-C4'-P energy: -3.567 tors. eta vs tors. theta energy: -2.413 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: 4 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -36.318996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.318996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.318996 (E_RNA) where: Base-Base interactions energy: -17.849 where: short stacking energy: -17.620 Base-Backbone interact. energy: -0.000 local terms energy: -18.469761 where: bonds (distance) C4'-P energy: -2.959 bonds (distance) P-C4' energy: -2.815 flat angles C4'-P-C4' energy: -5.959 flat angles P-C4'-P energy: -2.957 tors. eta vs tors. theta energy: -3.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -36.329326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.329326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.329326 (E_RNA) where: Base-Base interactions energy: -12.322 where: short stacking energy: -12.322 Base-Backbone interact. energy: -0.005 local terms energy: -24.002107 where: bonds (distance) C4'-P energy: -4.631 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -5.435 flat angles P-C4'-P energy: -3.945 tors. eta vs tors. theta energy: -3.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -30.519532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.519532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.519532 (E_RNA) where: Base-Base interactions energy: -9.168 where: short stacking energy: -9.168 Base-Backbone interact. energy: -0.035 local terms energy: -21.316504 where: bonds (distance) C4'-P energy: -4.400 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.532 flat angles P-C4'-P energy: -5.226 tors. eta vs tors. theta energy: -0.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -48.264546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.264546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.264546 (E_RNA) where: Base-Base interactions energy: -23.831 where: short stacking energy: -17.214 Base-Backbone interact. energy: 0.577 local terms energy: -25.010195 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -5.937 flat angles P-C4'-P energy: -4.251 tors. eta vs tors. theta energy: -3.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -52.704523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.704523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.704523 (E_RNA) where: Base-Base interactions energy: -24.510 where: short stacking energy: -24.510 Base-Backbone interact. energy: -0.000 local terms energy: -28.194311 where: bonds (distance) C4'-P energy: -4.735 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -4.863 flat angles P-C4'-P energy: -5.519 tors. eta vs tors. theta energy: -6.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -48.526939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.526939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.526939 (E_RNA) where: Base-Base interactions energy: -20.094 where: short stacking energy: -20.094 Base-Backbone interact. energy: -0.000 local terms energy: -28.432901 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.081 flat angles P-C4'-P energy: -5.211 tors. eta vs tors. theta energy: -6.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -41.866287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.866287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.866287 (E_RNA) where: Base-Base interactions energy: -21.893 where: short stacking energy: -21.893 Base-Backbone interact. energy: -0.000 local terms energy: -19.972846 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -5.209 flat angles C4'-P-C4' energy: -3.899 flat angles P-C4'-P energy: -2.037 tors. eta vs tors. theta energy: -3.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -40.242268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.242268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.242268 (E_RNA) where: Base-Base interactions energy: -15.514 where: short stacking energy: -15.514 Base-Backbone interact. energy: -0.000 local terms energy: -24.728252 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.999 flat angles P-C4'-P energy: -4.463 tors. eta vs tors. theta energy: -3.532 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: 392 Temperature: 1.150000 Total energy: -36.302055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.302055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.302055 (E_RNA) where: Base-Base interactions energy: -12.230 where: short stacking energy: -12.230 Base-Backbone interact. energy: -0.000 local terms energy: -24.072425 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -5.638 flat angles P-C4'-P energy: -3.889 tors. eta vs tors. theta energy: -2.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -34.094554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.094554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.094554 (E_RNA) where: Base-Base interactions energy: -10.657 where: short stacking energy: -10.657 Base-Backbone interact. energy: -0.027 local terms energy: -23.411227 where: bonds (distance) C4'-P energy: -3.325 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.712 flat angles P-C4'-P energy: -5.041 tors. eta vs tors. theta energy: -2.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -33.415200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.415200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.415200 (E_RNA) where: Base-Base interactions energy: -15.867 where: short stacking energy: -15.867 Base-Backbone interact. energy: 0.282 local terms energy: -17.829803 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.808 flat angles P-C4'-P energy: -0.466 tors. eta vs tors. theta energy: -1.711 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: 1 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -32.883991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.883991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.883991 (E_RNA) where: Base-Base interactions energy: -17.459 where: short stacking energy: -9.535 Base-Backbone interact. energy: -0.000 local terms energy: -15.424812 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -5.368 flat angles C4'-P-C4' energy: 0.008 flat angles P-C4'-P energy: -3.197 tors. eta vs tors. theta energy: -1.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -38.360935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.360935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.360935 (E_RNA) where: Base-Base interactions energy: -16.588 where: short stacking energy: -16.588 Base-Backbone interact. energy: -0.000 local terms energy: -21.773348 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -5.534 flat angles P-C4'-P energy: -2.350 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: 1, replica: 7 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -46.656610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.656610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.656610 (E_RNA) where: Base-Base interactions energy: -18.087 where: short stacking energy: -18.087 Base-Backbone interact. energy: -0.000 local terms energy: -28.570058 where: bonds (distance) C4'-P energy: -5.509 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.500 flat angles P-C4'-P energy: -3.823 tors. eta vs tors. theta energy: -6.517 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: 9 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -52.324196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.324196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.324196 (E_RNA) where: Base-Base interactions energy: -24.642 where: short stacking energy: -24.642 Base-Backbone interact. energy: -0.000 local terms energy: -27.682230 where: bonds (distance) C4'-P energy: -4.639 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.951 flat angles P-C4'-P energy: -3.868 tors. eta vs tors. theta energy: -6.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -49.578290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.578290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.578290 (E_RNA) where: Base-Base interactions energy: -23.143 where: short stacking energy: -23.143 Base-Backbone interact. energy: -0.000 local terms energy: -26.435311 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.380 flat angles P-C4'-P energy: -3.989 tors. eta vs tors. theta energy: -5.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -43.780999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.780999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.780999 (E_RNA) where: Base-Base interactions energy: -22.222 where: short stacking energy: -22.222 Base-Backbone interact. energy: -0.032 local terms energy: -21.527043 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -4.293 flat angles C4'-P-C4' energy: -5.667 flat angles P-C4'-P energy: -1.328 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: 5, replica: 2 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -47.772731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.772731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.772731 (E_RNA) where: Base-Base interactions energy: -21.001 where: short stacking energy: -21.001 Base-Backbone interact. energy: -0.000 local terms energy: -26.771708 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -4.065 flat angles P-C4'-P energy: -5.608 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: 6, replica: 4 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -41.637281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.637281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.637281 (E_RNA) where: Base-Base interactions energy: -17.456 where: short stacking energy: -17.456 Base-Backbone interact. energy: -0.007 local terms energy: -24.174691 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -4.612 flat angles P-C4'-P energy: -3.303 tors. eta vs tors. theta energy: -4.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -42.638435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.638435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.638435 (E_RNA) where: Base-Base interactions energy: -18.861 where: short stacking energy: -18.861 Base-Backbone interact. energy: -0.001 local terms energy: -23.775870 where: bonds (distance) C4'-P energy: -4.533 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -6.535 flat angles P-C4'-P energy: -4.518 tors. eta vs tors. theta energy: -2.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -37.829126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.829126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.829126 (E_RNA) where: Base-Base interactions energy: -24.252 where: short stacking energy: -12.256 Base-Backbone interact. energy: -0.030 local terms energy: -13.546886 where: bonds (distance) C4'-P energy: -2.500 bonds (distance) P-C4' energy: -5.582 flat angles C4'-P-C4' energy: -4.650 flat angles P-C4'-P energy: -1.808 tors. eta vs tors. theta energy: 0.993 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: 3 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -31.434944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.434944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.434944 (E_RNA) where: Base-Base interactions energy: -14.385 where: short stacking energy: -14.385 Base-Backbone interact. energy: -0.066 local terms energy: -16.983893 where: bonds (distance) C4'-P energy: -4.106 bonds (distance) P-C4' energy: -5.916 flat angles C4'-P-C4' energy: -1.066 flat angles P-C4'-P energy: -4.602 tors. eta vs tors. theta energy: -1.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -35.657580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.657580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.657580 (E_RNA) where: Base-Base interactions energy: -15.347 where: short stacking energy: -15.347 Base-Backbone interact. energy: -0.006 local terms energy: -20.304403 where: bonds (distance) C4'-P energy: -4.690 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.459 flat angles P-C4'-P energy: -2.675 tors. eta vs tors. theta energy: -1.496 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: 9 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -48.118605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.118605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.118605 (E_RNA) where: Base-Base interactions energy: -20.398 where: short stacking energy: -15.231 Base-Backbone interact. energy: -0.000 local terms energy: -27.720093 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.462 flat angles P-C4'-P energy: -4.241 tors. eta vs tors. theta energy: -5.068 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: 7 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -47.497444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.497444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.497444 (E_RNA) where: Base-Base interactions energy: -21.864 where: short stacking energy: -21.864 Base-Backbone interact. energy: -0.000 local terms energy: -25.633112 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.620 flat angles P-C4'-P energy: -1.964 tors. eta vs tors. theta energy: -4.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -51.128228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.128228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.128228 (E_RNA) where: Base-Base interactions energy: -24.705 where: short stacking energy: -24.705 Base-Backbone interact. energy: -0.000 local terms energy: -26.423211 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -4.704 flat angles P-C4'-P energy: -4.445 tors. eta vs tors. theta energy: -5.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -40.894640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.894640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.894640 (E_RNA) where: Base-Base interactions energy: -15.609 where: short stacking energy: -15.609 Base-Backbone interact. energy: -0.003 local terms energy: -25.282454 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.096 flat angles P-C4'-P energy: -3.507 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: 5, replica: 4 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -41.787717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.787717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.787717 (E_RNA) where: Base-Base interactions energy: -19.281 where: short stacking energy: -19.281 Base-Backbone interact. energy: -0.000 local terms energy: -22.506456 where: bonds (distance) C4'-P energy: -5.033 bonds (distance) P-C4' energy: -3.187 flat angles C4'-P-C4' energy: -5.921 flat angles P-C4'-P energy: -1.546 tors. eta vs tors. theta energy: -6.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -32.228928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.228928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.228928 (E_RNA) where: Base-Base interactions energy: -14.672 where: short stacking energy: -9.648 Base-Backbone interact. energy: -0.003 local terms energy: -17.553612 where: bonds (distance) C4'-P energy: -2.297 bonds (distance) P-C4' energy: -4.917 flat angles C4'-P-C4' energy: -5.057 flat angles P-C4'-P energy: -3.404 tors. eta vs tors. theta energy: -1.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -37.758478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.758478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.758478 (E_RNA) where: Base-Base interactions energy: -17.102 where: short stacking energy: -17.102 Base-Backbone interact. energy: -0.000 local terms energy: -20.656625 where: bonds (distance) C4'-P energy: -2.475 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -6.167 flat angles P-C4'-P energy: -1.422 tors. eta vs tors. theta energy: -4.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -37.637197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.637197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.637197 (E_RNA) where: Base-Base interactions energy: -10.416 where: short stacking energy: -10.416 Base-Backbone interact. energy: -0.000 local terms energy: -27.220797 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -6.696 flat angles P-C4'-P energy: -4.829 tors. eta vs tors. theta energy: -4.052 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: 6 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -29.015195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.015195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.015195 (E_RNA) where: Base-Base interactions energy: -10.804 where: short stacking energy: -10.804 Base-Backbone interact. energy: -0.026 local terms energy: -18.184566 where: bonds (distance) C4'-P energy: -3.432 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -5.446 flat angles P-C4'-P energy: -3.234 tors. eta vs tors. theta energy: 0.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -34.659413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.659413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.659413 (E_RNA) where: Base-Base interactions energy: -12.544 where: short stacking energy: -12.544 Base-Backbone interact. energy: -0.059 local terms energy: -22.057128 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -5.302 flat angles C4'-P-C4' energy: -4.319 flat angles P-C4'-P energy: -4.030 tors. eta vs tors. theta energy: -2.639 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: 9 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -50.555317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.555317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.555317 (E_RNA) where: Base-Base interactions energy: -22.166 where: short stacking energy: -22.166 Base-Backbone interact. energy: -0.000 local terms energy: -28.389150 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.124 flat angles C4'-P-C4' energy: -5.481 flat angles P-C4'-P energy: -3.836 tors. eta vs tors. theta energy: -6.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -45.784006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.784006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.784006 (E_RNA) where: Base-Base interactions energy: -19.773 where: short stacking energy: -19.773 Base-Backbone interact. energy: -0.000 local terms energy: -26.011191 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -4.513 flat angles P-C4'-P energy: -4.521 tors. eta vs tors. theta energy: -5.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -39.835556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.835556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.835556 (E_RNA) where: Base-Base interactions energy: -16.119 where: short stacking energy: -16.119 Base-Backbone interact. energy: -0.002 local terms energy: -23.713791 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -5.690 flat angles P-C4'-P energy: -2.776 tors. eta vs tors. theta energy: -3.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -40.357150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.357150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.357150 (E_RNA) where: Base-Base interactions energy: -14.483 where: short stacking energy: -14.483 Base-Backbone interact. energy: -0.000 local terms energy: -25.873697 where: bonds (distance) C4'-P energy: -4.727 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.125 flat angles P-C4'-P energy: -4.870 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: 5, replica: 10 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -37.235408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.235408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.235408 (E_RNA) where: Base-Base interactions energy: -14.085 where: short stacking energy: -8.674 Base-Backbone interact. energy: -0.080 local terms energy: -23.070482 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -5.367 flat angles P-C4'-P energy: -3.327 tors. eta vs tors. theta energy: -2.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -35.859616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.859616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.859616 (E_RNA) where: Base-Base interactions energy: -14.265 where: short stacking energy: -14.265 Base-Backbone interact. energy: -0.020 local terms energy: -21.574804 where: bonds (distance) C4'-P energy: -4.337 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.536 flat angles P-C4'-P energy: -4.772 tors. eta vs tors. theta energy: -1.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -35.581674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.581674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.581674 (E_RNA) where: Base-Base interactions energy: -11.029 where: short stacking energy: -11.029 Base-Backbone interact. energy: -0.017 local terms energy: -24.535612 where: bonds (distance) C4'-P energy: -4.756 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -6.049 flat angles P-C4'-P energy: -3.331 tors. eta vs tors. theta energy: -3.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -38.312052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.312052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.312052 (E_RNA) where: Base-Base interactions energy: -18.499 where: short stacking energy: -15.146 Base-Backbone interact. energy: -0.002 local terms energy: -19.811661 where: bonds (distance) C4'-P energy: -4.802 bonds (distance) P-C4' energy: -2.994 flat angles C4'-P-C4' energy: -5.348 flat angles P-C4'-P energy: -4.887 tors. eta vs tors. theta energy: -1.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -31.707252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.707252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.707252 (E_RNA) where: Base-Base interactions energy: -11.855 where: short stacking energy: -6.562 Base-Backbone interact. energy: -0.000 local terms energy: -19.851626 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -4.730 flat angles C4'-P-C4' energy: -5.798 flat angles P-C4'-P energy: -3.679 tors. eta vs tors. theta energy: -0.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -38.524734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.524734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.524734 (E_RNA) where: Base-Base interactions energy: -15.643 where: short stacking energy: -15.643 Base-Backbone interact. energy: -0.009 local terms energy: -22.873256 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -3.839 flat angles C4'-P-C4' energy: -6.148 flat angles P-C4'-P energy: -4.057 tors. eta vs tors. theta energy: -2.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -52.608707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.608707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.608707 (E_RNA) where: Base-Base interactions energy: -26.037 where: short stacking energy: -19.831 Base-Backbone interact. energy: 0.085 local terms energy: -26.656390 where: bonds (distance) C4'-P energy: -5.141 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.099 flat angles P-C4'-P energy: -4.604 tors. eta vs tors. theta energy: -4.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -63.875571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.875571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.875571 (E_RNA) where: Base-Base interactions energy: -39.011 where: short stacking energy: -17.458 Base-Backbone interact. energy: -0.007 local terms energy: -24.857226 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.362 flat angles P-C4'-P energy: -2.588 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: 3, replica: 4 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -45.453826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.453826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.453826 (E_RNA) where: Base-Base interactions energy: -21.654 where: short stacking energy: -19.562 Base-Backbone interact. energy: -0.036 local terms energy: -23.763758 where: bonds (distance) C4'-P energy: -6.577 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -2.223 flat angles P-C4'-P energy: -4.945 tors. eta vs tors. theta energy: -3.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -43.546387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.546387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.546387 (E_RNA) where: Base-Base interactions energy: -20.621 where: short stacking energy: -20.621 Base-Backbone interact. energy: -0.000 local terms energy: -22.925708 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -5.530 flat angles P-C4'-P energy: -2.386 tors. eta vs tors. theta energy: -4.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -36.002987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.002987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.002987 (E_RNA) where: Base-Base interactions energy: -16.364 where: short stacking energy: -16.364 Base-Backbone interact. energy: -0.051 local terms energy: -19.588215 where: bonds (distance) C4'-P energy: -3.920 bonds (distance) P-C4' energy: -5.153 flat angles C4'-P-C4' energy: -6.280 flat angles P-C4'-P energy: -2.947 tors. eta vs tors. theta energy: -1.288 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: 396 Temperature: 1.150000 Total energy: -38.427066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.427066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.427066 (E_RNA) where: Base-Base interactions energy: -16.322 where: short stacking energy: -16.322 Base-Backbone interact. energy: -0.000 local terms energy: -22.104527 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -5.139 flat angles P-C4'-P energy: -1.586 tors. eta vs tors. theta energy: -4.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -40.441647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.441647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.441647 (E_RNA) where: Base-Base interactions energy: -15.522 where: short stacking energy: -12.511 Base-Backbone interact. energy: -0.000 local terms energy: -24.919302 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -6.209 flat angles P-C4'-P energy: -1.098 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: 8, replica: 2 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -36.476596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.476596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.476596 (E_RNA) where: Base-Base interactions energy: -10.504 where: short stacking energy: -10.504 Base-Backbone interact. energy: -0.046 local terms energy: -25.926368 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.292 flat angles P-C4'-P energy: -4.756 tors. eta vs tors. theta energy: -3.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -36.910159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.910159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.910159 (E_RNA) where: Base-Base interactions energy: -15.036 where: short stacking energy: -15.036 Base-Backbone interact. energy: -0.000 local terms energy: -21.873858 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -2.713 flat angles P-C4'-P energy: -2.232 tors. eta vs tors. theta energy: -5.157 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: 8 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -28.920799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.920799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.920799 (E_RNA) where: Base-Base interactions energy: -11.313 where: short stacking energy: -8.983 Base-Backbone interact. energy: -0.000 local terms energy: -17.607538 where: bonds (distance) C4'-P energy: -3.457 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -3.877 flat angles P-C4'-P energy: -1.514 tors. eta vs tors. theta energy: -3.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -45.980395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.980395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.980395 (E_RNA) where: Base-Base interactions energy: -20.075 where: short stacking energy: -20.075 Base-Backbone interact. energy: -0.002 local terms energy: -25.903391 where: bonds (distance) C4'-P energy: -5.179 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.986 flat angles P-C4'-P energy: -3.645 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: 2, replica: 9 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -63.158252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.158252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.158252 (E_RNA) where: Base-Base interactions energy: -39.457 where: short stacking energy: -14.776 Base-Backbone interact. energy: -0.037 local terms energy: -23.664307 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -5.627 flat angles P-C4'-P energy: -4.127 tors. eta vs tors. theta energy: -2.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -48.257159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.257159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.257159 (E_RNA) where: Base-Base interactions energy: -21.707 where: short stacking energy: -19.423 Base-Backbone interact. energy: -0.000 local terms energy: -26.549349 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -5.466 flat angles C4'-P-C4' energy: -5.495 flat angles P-C4'-P energy: -3.549 tors. eta vs tors. theta energy: -6.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -44.917236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.917236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.917236 (E_RNA) where: Base-Base interactions energy: -21.556 where: short stacking energy: -21.556 Base-Backbone interact. energy: -0.742 local terms energy: -22.619783 where: bonds (distance) C4'-P energy: -2.268 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -4.930 flat angles P-C4'-P energy: -4.241 tors. eta vs tors. theta energy: -5.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -36.102705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.102705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.102705 (E_RNA) where: Base-Base interactions energy: -15.066 where: short stacking energy: -9.204 Base-Backbone interact. energy: -0.080 local terms energy: -20.956757 where: bonds (distance) C4'-P energy: -5.104 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -5.002 flat angles P-C4'-P energy: -4.184 tors. eta vs tors. theta energy: -1.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -32.131419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.131419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.131419 (E_RNA) where: Base-Base interactions energy: -12.074 where: short stacking energy: -12.074 Base-Backbone interact. energy: -0.002 local terms energy: -20.055109 where: bonds (distance) C4'-P energy: -5.349 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.989 flat angles P-C4'-P energy: 0.467 tors. eta vs tors. theta energy: -3.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -39.664063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.664063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.664063 (E_RNA) where: Base-Base interactions energy: -13.778 where: short stacking energy: -13.778 Base-Backbone interact. energy: -0.000 local terms energy: -25.886030 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.036 flat angles P-C4'-P energy: -3.941 tors. eta vs tors. theta energy: -4.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -36.423659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.423659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.423659 (E_RNA) where: Base-Base interactions energy: -16.963 where: short stacking energy: -9.618 Base-Backbone interact. energy: -0.135 local terms energy: -19.325405 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -4.463 flat angles C4'-P-C4' energy: -6.254 flat angles P-C4'-P energy: -4.592 tors. eta vs tors. theta energy: 1.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -38.983720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.983720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.983720 (E_RNA) where: Base-Base interactions energy: -17.031 where: short stacking energy: -17.031 Base-Backbone interact. energy: -0.006 local terms energy: -21.947028 where: bonds (distance) C4'-P energy: -4.639 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.293 flat angles P-C4'-P energy: -2.450 tors. eta vs tors. theta energy: -4.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -36.404215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.404215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.404215 (E_RNA) where: Base-Base interactions energy: -16.905 where: short stacking energy: -16.905 Base-Backbone interact. energy: -0.000 local terms energy: -19.499226 where: bonds (distance) C4'-P energy: -4.089 bonds (distance) P-C4' energy: -4.230 flat angles C4'-P-C4' energy: -3.902 flat angles P-C4'-P energy: -2.939 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: 398 Temperature: 0.900000 Total energy: -56.226552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.226552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.226552 (E_RNA) where: Base-Base interactions energy: -26.843 where: short stacking energy: -26.843 Base-Backbone interact. energy: -0.000 local terms energy: -29.383954 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.761 flat angles P-C4'-P energy: -3.458 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: 2, replica: 5 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -48.398294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.398294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.398294 (E_RNA) where: Base-Base interactions energy: -22.656 where: short stacking energy: -22.656 Base-Backbone interact. energy: -0.058 local terms energy: -25.684006 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.089 flat angles P-C4'-P energy: -2.846 tors. eta vs tors. theta energy: -4.145 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: 1 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -48.997504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.997504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.997504 (E_RNA) where: Base-Base interactions energy: -21.744 where: short stacking energy: -18.853 Base-Backbone interact. energy: -0.002 local terms energy: -27.251300 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.221 flat angles P-C4'-P energy: -5.034 tors. eta vs tors. theta energy: -6.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -43.456941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.456941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.456941 (E_RNA) where: Base-Base interactions energy: -17.928 where: short stacking energy: -17.928 Base-Backbone interact. energy: -0.001 local terms energy: -25.528065 where: bonds (distance) C4'-P energy: -5.096 bonds (distance) P-C4' energy: -6.202 flat angles C4'-P-C4' energy: -4.539 flat angles P-C4'-P energy: -4.544 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: 5, replica: 6 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -44.860231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.860231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.860231 (E_RNA) where: Base-Base interactions energy: -25.746 where: short stacking energy: -9.585 Base-Backbone interact. energy: -0.013 local terms energy: -19.101228 where: bonds (distance) C4'-P energy: -5.033 bonds (distance) P-C4' energy: -4.854 flat angles C4'-P-C4' energy: -4.284 flat angles P-C4'-P energy: -3.625 tors. eta vs tors. theta energy: -1.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -38.871428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.871428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.871428 (E_RNA) where: Base-Base interactions energy: -17.828 where: short stacking energy: -17.828 Base-Backbone interact. energy: -0.000 local terms energy: -21.043850 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -2.411 flat angles C4'-P-C4' energy: -4.838 flat angles P-C4'-P energy: -2.084 tors. eta vs tors. theta energy: -5.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -43.219865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.219865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.219865 (E_RNA) where: Base-Base interactions energy: -20.088 where: short stacking energy: -20.088 Base-Backbone interact. energy: -0.000 local terms energy: -23.131755 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -3.955 flat angles P-C4'-P energy: -3.135 tors. eta vs tors. theta energy: -4.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -35.498746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.498746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.498746 (E_RNA) where: Base-Base interactions energy: -12.183 where: short stacking energy: -9.078 Base-Backbone interact. energy: -0.002 local terms energy: -23.313978 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -6.292 flat angles P-C4'-P energy: -4.427 tors. eta vs tors. theta energy: -1.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -33.351453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.351453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.351453 (E_RNA) where: Base-Base interactions energy: -12.009 where: short stacking energy: -12.009 Base-Backbone interact. energy: 0.646 local terms energy: -21.987813 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -4.548 flat angles P-C4'-P energy: -3.526 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: 10, replica: 2 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -43.691311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.691311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.691311 (E_RNA) where: Base-Base interactions energy: -27.008 where: short stacking energy: -15.017 Base-Backbone interact. energy: -0.070 local terms energy: -16.613071 where: bonds (distance) C4'-P energy: -4.276 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.952 flat angles P-C4'-P energy: -0.961 tors. eta vs tors. theta energy: -1.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -48.142157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.142157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.142157 (E_RNA) where: Base-Base interactions energy: -21.814 where: short stacking energy: -21.814 Base-Backbone interact. energy: -0.000 local terms energy: -26.327716 where: bonds (distance) C4'-P energy: -5.128 bonds (distance) P-C4' energy: -5.653 flat angles C4'-P-C4' energy: -6.150 flat angles P-C4'-P energy: -3.818 tors. eta vs tors. theta energy: -5.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -51.495341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.495341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.495341 (E_RNA) where: Base-Base interactions energy: -24.188 where: short stacking energy: -24.188 Base-Backbone interact. energy: -0.000 local terms energy: -27.307564 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -5.516 flat angles C4'-P-C4' energy: -5.796 flat angles P-C4'-P energy: -4.170 tors. eta vs tors. theta energy: -6.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -40.068621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.068621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.068621 (E_RNA) where: Base-Base interactions energy: -16.950 where: short stacking energy: -11.285 Base-Backbone interact. energy: 0.500 local terms energy: -23.618643 where: bonds (distance) C4'-P energy: -5.145 bonds (distance) P-C4' energy: -5.889 flat angles C4'-P-C4' energy: -5.645 flat angles P-C4'-P energy: -4.808 tors. eta vs tors. theta energy: -2.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -44.093419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.093419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.093419 (E_RNA) where: Base-Base interactions energy: -18.226 where: short stacking energy: -18.226 Base-Backbone interact. energy: -0.001 local terms energy: -25.866390 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -4.170 flat angles C4'-P-C4' energy: -5.887 flat angles P-C4'-P energy: -3.581 tors. eta vs tors. theta energy: -6.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -42.605104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.605104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.605104 (E_RNA) where: Base-Base interactions energy: -17.556 where: short stacking energy: -17.556 Base-Backbone interact. energy: -0.000 local terms energy: -25.048691 where: bonds (distance) C4'-P energy: -4.877 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.086 flat angles P-C4'-P energy: -2.448 tors. eta vs tors. theta energy: -6.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -35.915722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.915722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.915722 (E_RNA) where: Base-Base interactions energy: -13.991 where: short stacking energy: -13.991 Base-Backbone interact. energy: -0.002 local terms energy: -21.923144 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -3.689 flat angles P-C4'-P energy: -3.101 tors. eta vs tors. theta energy: -2.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -37.012707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.012707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.012707 (E_RNA) where: Base-Base interactions energy: -16.136 where: short stacking energy: -14.524 Base-Backbone interact. energy: -0.033 local terms energy: -20.843231 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -4.367 flat angles C4'-P-C4' energy: -5.809 flat angles P-C4'-P energy: -0.181 tors. eta vs tors. theta energy: -4.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -29.505075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.505075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.505075 (E_RNA) where: Base-Base interactions energy: -11.934 where: short stacking energy: -11.934 Base-Backbone interact. energy: -0.004 local terms energy: -17.566638 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -4.168 flat angles C4'-P-C4' energy: -5.186 flat angles P-C4'-P energy: -3.809 tors. eta vs tors. theta energy: 0.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -34.978592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.978592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.978592 (E_RNA) where: Base-Base interactions energy: -12.978 where: short stacking energy: -12.978 Base-Backbone interact. energy: -0.040 local terms energy: -21.960191 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.101 flat angles P-C4'-P energy: -1.969 tors. eta vs tors. theta energy: -1.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -33.132876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.132876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.132876 (E_RNA) where: Base-Base interactions energy: -16.825 where: short stacking energy: -12.919 Base-Backbone interact. energy: -0.101 local terms energy: -16.206402 where: bonds (distance) C4'-P energy: -4.603 bonds (distance) P-C4' energy: -3.911 flat angles C4'-P-C4' energy: -4.984 flat angles P-C4'-P energy: -1.484 tors. eta vs tors. theta energy: -1.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -52.496637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.496637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.496637 (E_RNA) where: Base-Base interactions energy: -25.510 where: short stacking energy: -25.510 Base-Backbone interact. energy: -0.000 local terms energy: -26.986288 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -5.325 flat angles C4'-P-C4' energy: -5.478 flat angles P-C4'-P energy: -3.900 tors. eta vs tors. theta energy: -6.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -49.180112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.180112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.180112 (E_RNA) where: Base-Base interactions energy: -24.104 where: short stacking energy: -14.279 Base-Backbone interact. energy: -0.000 local terms energy: -25.075961 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -5.518 flat angles P-C4'-P energy: -3.913 tors. eta vs tors. theta energy: -2.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -54.581897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.581897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.581897 (E_RNA) where: Base-Base interactions energy: -30.944 where: short stacking energy: -17.267 Base-Backbone interact. energy: -0.011 local terms energy: -23.627036 where: bonds (distance) C4'-P energy: -4.570 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.905 flat angles P-C4'-P energy: -3.719 tors. eta vs tors. theta energy: -3.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -38.722263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.722263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.722263 (E_RNA) where: Base-Base interactions energy: -20.814 where: short stacking energy: -8.928 Base-Backbone interact. energy: -0.012 local terms energy: -17.895980 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -6.125 flat angles C4'-P-C4' energy: -5.130 flat angles P-C4'-P energy: -3.809 tors. eta vs tors. theta energy: 2.401 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: 4 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -39.288273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.288273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.288273 (E_RNA) where: Base-Base interactions energy: -14.539 where: short stacking energy: -14.539 Base-Backbone interact. energy: -0.627 local terms energy: -24.122192 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.132 flat angles P-C4'-P energy: -3.685 tors. eta vs tors. theta energy: -2.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -42.521432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.521432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.521432 (E_RNA) where: Base-Base interactions energy: -16.648 where: short stacking energy: -16.648 Base-Backbone interact. energy: -0.000 local terms energy: -25.873817 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -4.572 flat angles P-C4'-P energy: -3.450 tors. eta vs tors. theta energy: -5.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -45.028345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.028345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.028345 (E_RNA) where: Base-Base interactions energy: -24.088 where: short stacking energy: -13.683 Base-Backbone interact. energy: -0.047 local terms energy: -20.893067 where: bonds (distance) C4'-P energy: -4.260 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -4.642 flat angles P-C4'-P energy: -4.530 tors. eta vs tors. theta energy: -1.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -34.945724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.945724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.945724 (E_RNA) where: Base-Base interactions energy: -17.445 where: short stacking energy: -10.355 Base-Backbone interact. energy: -0.056 local terms energy: -17.445328 where: bonds (distance) C4'-P energy: -2.773 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -4.139 flat angles P-C4'-P energy: -3.340 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: 9, replica: 2 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -29.515466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.515466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.515466 (E_RNA) where: Base-Base interactions energy: -12.006 where: short stacking energy: -12.006 Base-Backbone interact. energy: -0.002 local terms energy: -17.507562 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -3.918 flat angles P-C4'-P energy: 1.100 tors. eta vs tors. theta energy: -1.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -33.768927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.768927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.768927 (E_RNA) where: Base-Base interactions energy: -12.883 where: short stacking energy: -10.372 Base-Backbone interact. energy: -0.418 local terms energy: -20.468007 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.100 flat angles C4'-P-C4' energy: -4.426 flat angles P-C4'-P energy: -1.407 tors. eta vs tors. theta energy: -3.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -51.411146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.411146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.411146 (E_RNA) where: Base-Base interactions energy: -24.213 where: short stacking energy: -14.429 Base-Backbone interact. energy: -0.000 local terms energy: -27.197597 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.605 flat angles P-C4'-P energy: -5.382 tors. eta vs tors. theta energy: -3.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -53.559083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.559083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.559083 (E_RNA) where: Base-Base interactions energy: -29.633 where: short stacking energy: -17.779 Base-Backbone interact. energy: -0.048 local terms energy: -23.877918 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.588 flat angles P-C4'-P energy: -4.053 tors. eta vs tors. theta energy: -2.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -42.738405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.738405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.738405 (E_RNA) where: Base-Base interactions energy: -16.748 where: short stacking energy: -16.748 Base-Backbone interact. energy: -0.000 local terms energy: -25.990403 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.554 flat angles P-C4'-P energy: -4.007 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: 4, replica: 4 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -46.381920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.381920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.381920 (E_RNA) where: Base-Base interactions energy: -18.821 where: short stacking energy: -13.955 Base-Backbone interact. energy: -0.061 local terms energy: -27.499543 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -6.214 flat angles P-C4'-P energy: -4.619 tors. eta vs tors. theta energy: -5.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -47.429012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.429012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.429012 (E_RNA) where: Base-Base interactions energy: -22.998 where: short stacking energy: -22.998 Base-Backbone interact. energy: -0.000 local terms energy: -24.430672 where: bonds (distance) C4'-P energy: -2.016 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -6.573 flat angles P-C4'-P energy: -2.889 tors. eta vs tors. theta energy: -6.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -35.275685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.275685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.275685 (E_RNA) where: Base-Base interactions energy: -12.309 where: short stacking energy: -12.309 Base-Backbone interact. energy: -0.002 local terms energy: -22.965482 where: bonds (distance) C4'-P energy: -3.796 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.574 flat angles P-C4'-P energy: -3.439 tors. eta vs tors. theta energy: -3.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -40.535171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.535171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.535171 (E_RNA) where: Base-Base interactions energy: -17.970 where: short stacking energy: -17.970 Base-Backbone interact. energy: -0.000 local terms energy: -22.565160 where: bonds (distance) C4'-P energy: -2.479 bonds (distance) P-C4' energy: -5.128 flat angles C4'-P-C4' energy: -5.589 flat angles P-C4'-P energy: -4.628 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: 8, replica: 2 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -37.360047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.360047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.360047 (E_RNA) where: Base-Base interactions energy: -20.751 where: short stacking energy: -20.751 Base-Backbone interact. energy: -0.000 local terms energy: -16.608854 where: bonds (distance) C4'-P energy: -4.251 bonds (distance) P-C4' energy: -1.518 flat angles C4'-P-C4' energy: -2.504 flat angles P-C4'-P energy: -5.039 tors. eta vs tors. theta energy: -3.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -33.696890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.696890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.696890 (E_RNA) where: Base-Base interactions energy: -13.463 where: short stacking energy: -13.463 Base-Backbone interact. energy: -0.000 local terms energy: -20.233764 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -4.899 flat angles C4'-P-C4' energy: -3.379 flat angles P-C4'-P energy: -4.493 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: 8 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -35.083803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.083803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.083803 (E_RNA) where: Base-Base interactions energy: -14.627 where: short stacking energy: -8.527 Base-Backbone interact. energy: -1.041 local terms energy: -19.415155 where: bonds (distance) C4'-P energy: -4.872 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -6.622 flat angles P-C4'-P energy: -3.007 tors. eta vs tors. theta energy: 0.655 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: 6 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -50.591210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.591210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.591210 (E_RNA) where: Base-Base interactions energy: -23.686 where: short stacking energy: -23.686 Base-Backbone interact. energy: -0.000 local terms energy: -26.904754 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -5.761 flat angles P-C4'-P energy: -3.096 tors. eta vs tors. theta energy: -7.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -44.593621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.593621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.593621 (E_RNA) where: Base-Base interactions energy: -18.198 where: short stacking energy: -13.667 Base-Backbone interact. energy: -0.072 local terms energy: -26.323861 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -6.189 flat angles P-C4'-P energy: -4.857 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: 3, replica: 4 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -46.344352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.344352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.344352 (E_RNA) where: Base-Base interactions energy: -19.850 where: short stacking energy: -19.850 Base-Backbone interact. energy: -0.003 local terms energy: -26.491482 where: bonds (distance) C4'-P energy: -4.499 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.749 flat angles P-C4'-P energy: -3.705 tors. eta vs tors. theta energy: -5.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -43.476341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.476341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.476341 (E_RNA) where: Base-Base interactions energy: -21.964 where: short stacking energy: -14.610 Base-Backbone interact. energy: -0.117 local terms energy: -21.394776 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -5.115 flat angles P-C4'-P energy: -2.754 tors. eta vs tors. theta energy: -1.192 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: 402 Temperature: 1.100000 Total energy: -42.102211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.102211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.102211 (E_RNA) where: Base-Base interactions energy: -18.670 where: short stacking energy: -13.622 Base-Backbone interact. energy: -0.132 local terms energy: -23.299592 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -4.944 flat angles C4'-P-C4' energy: -5.641 flat angles P-C4'-P energy: -4.715 tors. eta vs tors. theta energy: -2.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -37.581435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.581435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.581435 (E_RNA) where: Base-Base interactions energy: -15.805 where: short stacking energy: -15.805 Base-Backbone interact. energy: -0.003 local terms energy: -21.773393 where: bonds (distance) C4'-P energy: -4.802 bonds (distance) P-C4' energy: -3.317 flat angles C4'-P-C4' energy: -5.022 flat angles P-C4'-P energy: -3.719 tors. eta vs tors. theta energy: -4.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -37.061193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.061193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.061193 (E_RNA) where: Base-Base interactions energy: -14.559 where: short stacking energy: -14.559 Base-Backbone interact. energy: -0.000 local terms energy: -22.502049 where: bonds (distance) C4'-P energy: -1.063 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -4.627 flat angles P-C4'-P energy: -5.487 tors. eta vs tors. theta energy: -4.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -43.416692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.416692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.416692 (E_RNA) where: Base-Base interactions energy: -16.965 where: short stacking energy: -16.800 Base-Backbone interact. energy: -0.000 local terms energy: -26.451956 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -5.974 flat angles P-C4'-P energy: -2.330 tors. eta vs tors. theta energy: -5.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -29.445811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.445811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.445811 (E_RNA) where: Base-Base interactions energy: -12.782 where: short stacking energy: -12.782 Base-Backbone interact. energy: -0.053 local terms energy: -16.609925 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -3.641 flat angles C4'-P-C4' energy: -4.375 flat angles P-C4'-P energy: -3.548 tors. eta vs tors. theta energy: 0.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -29.516088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.516088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.516088 (E_RNA) where: Base-Base interactions energy: -9.583 where: short stacking energy: -9.565 Base-Backbone interact. energy: -0.007 local terms energy: -19.925417 where: bonds (distance) C4'-P energy: -4.691 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.051 flat angles P-C4'-P energy: -3.816 tors. eta vs tors. theta energy: -0.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -50.358254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.358254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.358254 (E_RNA) where: Base-Base interactions energy: -24.148 where: short stacking energy: -24.148 Base-Backbone interact. energy: -0.000 local terms energy: -26.210738 where: bonds (distance) C4'-P energy: -4.176 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.765 flat angles P-C4'-P energy: -3.191 tors. eta vs tors. theta energy: -6.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -52.669734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.669734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.669734 (E_RNA) where: Base-Base interactions energy: -23.753 where: short stacking energy: -23.753 Base-Backbone interact. energy: -0.000 local terms energy: -28.916426 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -5.904 flat angles P-C4'-P energy: -3.530 tors. eta vs tors. theta energy: -7.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -44.748768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.748768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.748768 (E_RNA) where: Base-Base interactions energy: -20.919 where: short stacking energy: -20.919 Base-Backbone interact. energy: -0.013 local terms energy: -23.816824 where: bonds (distance) C4'-P energy: -4.202 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.636 flat angles P-C4'-P energy: -4.151 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: 4, replica: 7 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -38.375624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.375624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.375624 (E_RNA) where: Base-Base interactions energy: -14.057 where: short stacking energy: -14.057 Base-Backbone interact. energy: -0.000 local terms energy: -24.318310 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -3.731 flat angles C4'-P-C4' energy: -6.006 flat angles P-C4'-P energy: -3.111 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: 5, replica: 9 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -42.769893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.769893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.769893 (E_RNA) where: Base-Base interactions energy: -19.967 where: short stacking energy: -19.967 Base-Backbone interact. energy: -0.000 local terms energy: -22.802814 where: bonds (distance) C4'-P energy: -5.295 bonds (distance) P-C4' energy: -4.128 flat angles C4'-P-C4' energy: -4.036 flat angles P-C4'-P energy: -3.405 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: 2 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -39.688854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.688854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.688854 (E_RNA) where: Base-Base interactions energy: -20.949 where: short stacking energy: -13.312 Base-Backbone interact. energy: -0.022 local terms energy: -18.718183 where: bonds (distance) C4'-P energy: -4.441 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -3.681 flat angles P-C4'-P energy: -3.397 tors. eta vs tors. theta energy: -0.577 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: 5 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -41.448834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.448834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.448834 (E_RNA) where: Base-Base interactions energy: -17.109 where: short stacking energy: -17.109 Base-Backbone interact. energy: -0.000 local terms energy: -24.339685 where: bonds (distance) C4'-P energy: -6.098 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -6.222 flat angles P-C4'-P energy: -2.881 tors. eta vs tors. theta energy: -3.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -34.356410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.356410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.356410 (E_RNA) where: Base-Base interactions energy: -15.587 where: short stacking energy: -15.587 Base-Backbone interact. energy: -0.001 local terms energy: -18.769009 where: bonds (distance) C4'-P energy: -3.299 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -3.542 flat angles P-C4'-P energy: 0.200 tors. eta vs tors. theta energy: -5.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -31.303729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.303729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.303729 (E_RNA) where: Base-Base interactions energy: -13.852 where: short stacking energy: -8.658 Base-Backbone interact. energy: -0.099 local terms energy: -17.352737 where: bonds (distance) C4'-P energy: -5.163 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -3.621 flat angles P-C4'-P energy: -2.796 tors. eta vs tors. theta energy: 0.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -29.689224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.689224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.689224 (E_RNA) where: Base-Base interactions energy: -10.608 where: short stacking energy: -10.608 Base-Backbone interact. energy: -0.071 local terms energy: -19.009720 where: bonds (distance) C4'-P energy: -2.826 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -4.208 flat angles P-C4'-P energy: -4.454 tors. eta vs tors. theta energy: -0.639 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: 6 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -53.623235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.623235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.623235 (E_RNA) where: Base-Base interactions energy: -27.648 where: short stacking energy: -27.648 Base-Backbone interact. energy: -0.000 local terms energy: -25.975428 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -4.762 flat angles C4'-P-C4' energy: -5.427 flat angles P-C4'-P energy: -4.239 tors. eta vs tors. theta energy: -6.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -53.653091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.653091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.653091 (E_RNA) where: Base-Base interactions energy: -23.226 where: short stacking energy: -23.226 Base-Backbone interact. energy: -0.000 local terms energy: -30.427546 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.277 flat angles P-C4'-P energy: -4.708 tors. eta vs tors. theta energy: -7.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -41.813319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.813319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.813319 (E_RNA) where: Base-Base interactions energy: -18.300 where: short stacking energy: -18.300 Base-Backbone interact. energy: -0.000 local terms energy: -23.513027 where: bonds (distance) C4'-P energy: -4.810 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.489 flat angles P-C4'-P energy: -3.564 tors. eta vs tors. theta energy: -2.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -39.005307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.005307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.005307 (E_RNA) where: Base-Base interactions energy: -21.827 where: short stacking energy: -5.727 Base-Backbone interact. energy: -0.321 local terms energy: -16.857724 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -3.642 flat angles P-C4'-P energy: -3.706 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: 5, replica: 2 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -38.957663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.957663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.957663 (E_RNA) where: Base-Base interactions energy: -17.108 where: short stacking energy: -17.108 Base-Backbone interact. energy: -0.000 local terms energy: -21.849577 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -0.765 flat angles P-C4'-P energy: -4.385 tors. eta vs tors. theta energy: -4.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -38.420390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.420390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.420390 (E_RNA) where: Base-Base interactions energy: -14.049 where: short stacking energy: -14.049 Base-Backbone interact. energy: -0.000 local terms energy: -24.370984 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -4.629 flat angles C4'-P-C4' energy: -5.865 flat angles P-C4'-P energy: -4.590 tors. eta vs tors. theta energy: -2.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -34.229102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.229102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.229102 (E_RNA) where: Base-Base interactions energy: -11.633 where: short stacking energy: -11.633 Base-Backbone interact. energy: -0.777 local terms energy: -21.819639 where: bonds (distance) C4'-P energy: -4.686 bonds (distance) P-C4' energy: -4.727 flat angles C4'-P-C4' energy: -4.602 flat angles P-C4'-P energy: -4.665 tors. eta vs tors. theta energy: -3.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -33.056548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.056548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.056548 (E_RNA) where: Base-Base interactions energy: -8.572 where: short stacking energy: -5.223 Base-Backbone interact. energy: -0.562 local terms energy: -23.922631 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -5.150 flat angles C4'-P-C4' energy: -6.013 flat angles P-C4'-P energy: -4.552 tors. eta vs tors. theta energy: -2.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -35.236372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.236372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.236372 (E_RNA) where: Base-Base interactions energy: -12.114 where: short stacking energy: -12.114 Base-Backbone interact. energy: -0.007 local terms energy: -23.115763 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -3.526 flat angles P-C4'-P energy: -4.283 tors. eta vs tors. theta energy: -3.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -33.834878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.834878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.834878 (E_RNA) where: Base-Base interactions energy: -11.069 where: short stacking energy: -11.069 Base-Backbone interact. energy: -0.000 local terms energy: -22.765778 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -6.437 flat angles P-C4'-P energy: -2.819 tors. eta vs tors. theta energy: -0.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -45.318245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.318245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.318245 (E_RNA) where: Base-Base interactions energy: -23.132 where: short stacking energy: -23.132 Base-Backbone interact. energy: -0.000 local terms energy: -22.185837 where: bonds (distance) C4'-P energy: -2.608 bonds (distance) P-C4' energy: -5.135 flat angles C4'-P-C4' energy: -6.008 flat angles P-C4'-P energy: -3.888 tors. eta vs tors. theta energy: -4.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -44.641041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.641041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.641041 (E_RNA) where: Base-Base interactions energy: -18.473 where: short stacking energy: -18.473 Base-Backbone interact. energy: -0.000 local terms energy: -26.168402 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.866 flat angles P-C4'-P energy: -4.968 tors. eta vs tors. theta energy: -2.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -45.938834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.938834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.938834 (E_RNA) where: Base-Base interactions energy: -28.963 where: short stacking energy: -20.880 Base-Backbone interact. energy: -0.000 local terms energy: -16.975775 where: bonds (distance) C4'-P energy: -4.603 bonds (distance) P-C4' energy: -3.619 flat angles C4'-P-C4' energy: -0.483 flat angles P-C4'-P energy: -4.628 tors. eta vs tors. theta energy: -3.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -45.843068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.843068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.843068 (E_RNA) where: Base-Base interactions energy: -18.613 where: short stacking energy: -18.613 Base-Backbone interact. energy: -0.000 local terms energy: -27.230026 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -5.051 flat angles C4'-P-C4' energy: -6.077 flat angles P-C4'-P energy: -4.169 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: 5, replica: 4 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -43.474966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.474966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.474966 (E_RNA) where: Base-Base interactions energy: -18.109 where: short stacking energy: -18.109 Base-Backbone interact. energy: -0.048 local terms energy: -25.317579 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -6.481 flat angles P-C4'-P energy: -3.749 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: 6, replica: 8 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -34.421722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.421722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.421722 (E_RNA) where: Base-Base interactions energy: -13.895 where: short stacking energy: -13.895 Base-Backbone interact. energy: -0.017 local terms energy: -20.509817 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -4.428 flat angles C4'-P-C4' energy: -6.328 flat angles P-C4'-P energy: -2.477 tors. eta vs tors. theta energy: -1.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -39.808075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.808075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.808075 (E_RNA) where: Base-Base interactions energy: -19.844 where: short stacking energy: -14.108 Base-Backbone interact. energy: -0.097 local terms energy: -19.867088 where: bonds (distance) C4'-P energy: -4.160 bonds (distance) P-C4' energy: -3.712 flat angles C4'-P-C4' energy: -5.459 flat angles P-C4'-P energy: -4.546 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: 8, replica: 3 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -40.398056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.398056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.398056 (E_RNA) where: Base-Base interactions energy: -17.422 where: short stacking energy: -17.422 Base-Backbone interact. energy: -0.000 local terms energy: -22.976263 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -4.135 flat angles C4'-P-C4' energy: -6.452 flat angles P-C4'-P energy: -2.859 tors. eta vs tors. theta energy: -3.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -34.181675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.181675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.181675 (E_RNA) where: Base-Base interactions energy: -11.386 where: short stacking energy: -11.386 Base-Backbone interact. energy: -0.010 local terms energy: -22.785195 where: bonds (distance) C4'-P energy: -5.163 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.465 flat angles P-C4'-P energy: -4.243 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: 10 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -33.046502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.046502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.046502 (E_RNA) where: Base-Base interactions energy: -9.858 where: short stacking energy: -9.858 Base-Backbone interact. energy: -0.000 local terms energy: -23.188897 where: bonds (distance) C4'-P energy: -4.453 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.149 flat angles P-C4'-P energy: -4.374 tors. eta vs tors. theta energy: -2.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -53.968259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.968259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.968259 (E_RNA) where: Base-Base interactions energy: -29.703 where: short stacking energy: -18.261 Base-Backbone interact. energy: -0.004 local terms energy: -24.260557 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.628 flat angles C4'-P-C4' energy: -6.638 flat angles P-C4'-P energy: -3.428 tors. eta vs tors. theta energy: -2.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -43.765722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.765722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.765722 (E_RNA) where: Base-Base interactions energy: -18.551 where: short stacking energy: -18.551 Base-Backbone interact. energy: -0.001 local terms energy: -25.214159 where: bonds (distance) C4'-P energy: -3.833 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.384 flat angles P-C4'-P energy: -5.023 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: 3, replica: 2 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -46.081680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.081680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.081680 (E_RNA) where: Base-Base interactions energy: -20.187 where: short stacking energy: -20.187 Base-Backbone interact. energy: -0.000 local terms energy: -25.894342 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.976 flat angles P-C4'-P energy: -4.722 tors. eta vs tors. theta energy: -4.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -38.979434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.979434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.979434 (E_RNA) where: Base-Base interactions energy: -14.322 where: short stacking energy: -13.203 Base-Backbone interact. energy: -0.047 local terms energy: -24.610784 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -6.087 flat angles P-C4'-P energy: -4.396 tors. eta vs tors. theta energy: -1.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -37.236244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.236244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.236244 (E_RNA) where: Base-Base interactions energy: -14.147 where: short stacking energy: -7.986 Base-Backbone interact. energy: -0.045 local terms energy: -23.044259 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.152 flat angles P-C4'-P energy: -4.536 tors. eta vs tors. theta energy: 0.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -41.694007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.694007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.694007 (E_RNA) where: Base-Base interactions energy: -18.709 where: short stacking energy: -18.709 Base-Backbone interact. energy: -0.085 local terms energy: -22.899879 where: bonds (distance) C4'-P energy: -4.035 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -4.876 flat angles P-C4'-P energy: -4.420 tors. eta vs tors. theta energy: -3.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -33.594656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.594656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.594656 (E_RNA) where: Base-Base interactions energy: -14.072 where: short stacking energy: -14.072 Base-Backbone interact. energy: -0.000 local terms energy: -19.523123 where: bonds (distance) C4'-P energy: -3.725 bonds (distance) P-C4' energy: -5.941 flat angles C4'-P-C4' energy: -4.938 flat angles P-C4'-P energy: -0.571 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: 8, replica: 9 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -38.651750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.651750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.651750 (E_RNA) where: Base-Base interactions energy: -15.309 where: short stacking energy: -15.309 Base-Backbone interact. energy: -0.000 local terms energy: -23.342581 where: bonds (distance) C4'-P energy: -4.346 bonds (distance) P-C4' energy: -4.430 flat angles C4'-P-C4' energy: -6.059 flat angles P-C4'-P energy: -1.971 tors. eta vs tors. theta energy: -6.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -38.986425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.986425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.986425 (E_RNA) where: Base-Base interactions energy: -19.460 where: short stacking energy: -19.460 Base-Backbone interact. energy: -0.011 local terms energy: -19.515112 where: bonds (distance) C4'-P energy: -4.752 bonds (distance) P-C4' energy: -4.041 flat angles C4'-P-C4' energy: -5.192 flat angles P-C4'-P energy: -3.988 tors. eta vs tors. theta energy: -1.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -31.490792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.490792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.490792 (E_RNA) where: Base-Base interactions energy: -11.334 where: short stacking energy: -11.334 Base-Backbone interact. energy: -0.345 local terms energy: -19.811098 where: bonds (distance) C4'-P energy: -4.135 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -5.271 flat angles P-C4'-P energy: -2.568 tors. eta vs tors. theta energy: -1.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -52.865749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.865749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.865749 (E_RNA) where: Base-Base interactions energy: -24.594 where: short stacking energy: -24.594 Base-Backbone interact. energy: -0.000 local terms energy: -28.271694 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -6.146 flat angles P-C4'-P energy: -3.135 tors. eta vs tors. theta energy: -7.108 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: 2 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -44.689480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.689480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.689480 (E_RNA) where: Base-Base interactions energy: -18.900 where: short stacking energy: -18.900 Base-Backbone interact. energy: -0.000 local terms energy: -25.789329 where: bonds (distance) C4'-P energy: -4.016 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.048 flat angles P-C4'-P energy: -3.717 tors. eta vs tors. theta energy: -5.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -43.856443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.856443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.856443 (E_RNA) where: Base-Base interactions energy: -19.837 where: short stacking energy: -19.837 Base-Backbone interact. energy: -0.051 local terms energy: -23.968629 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.198 flat angles P-C4'-P energy: -4.743 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: 4, replica: 8 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -39.328609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.328609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.328609 (E_RNA) where: Base-Base interactions energy: -18.311 where: short stacking energy: -15.030 Base-Backbone interact. energy: -0.016 local terms energy: -21.001807 where: bonds (distance) C4'-P energy: -4.595 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -5.468 flat angles P-C4'-P energy: -3.522 tors. eta vs tors. theta energy: -1.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -34.514816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.514816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.514816 (E_RNA) where: Base-Base interactions energy: -19.583 where: short stacking energy: -10.689 Base-Backbone interact. energy: -0.146 local terms energy: -14.785533 where: bonds (distance) C4'-P energy: -1.792 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -4.478 flat angles P-C4'-P energy: -1.280 tors. eta vs tors. theta energy: -0.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -39.791418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.791418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.791418 (E_RNA) where: Base-Base interactions energy: -21.229 where: short stacking energy: -16.043 Base-Backbone interact. energy: -0.019 local terms energy: -18.542898 where: bonds (distance) C4'-P energy: -4.176 bonds (distance) P-C4' energy: -5.604 flat angles C4'-P-C4' energy: -5.044 flat angles P-C4'-P energy: 0.692 tors. eta vs tors. theta energy: -4.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -46.038730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.038730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.038730 (E_RNA) where: Base-Base interactions energy: -21.682 where: short stacking energy: -21.682 Base-Backbone interact. energy: -0.030 local terms energy: -24.326670 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -3.060 flat angles C4'-P-C4' energy: -5.438 flat angles P-C4'-P energy: -4.589 tors. eta vs tors. theta energy: -5.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -36.887038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.887038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.887038 (E_RNA) where: Base-Base interactions energy: -13.569 where: short stacking energy: -13.569 Base-Backbone interact. energy: -0.004 local terms energy: -23.313351 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -6.450 flat angles P-C4'-P energy: -3.624 tors. eta vs tors. theta energy: -2.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -34.377288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.377288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.377288 (E_RNA) where: Base-Base interactions energy: -14.715 where: short stacking energy: -14.715 Base-Backbone interact. energy: -0.001 local terms energy: -19.661562 where: bonds (distance) C4'-P energy: -2.777 bonds (distance) P-C4' energy: -4.423 flat angles C4'-P-C4' energy: -6.108 flat angles P-C4'-P energy: -1.359 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: 407 Temperature: 1.350000 Total energy: -32.429492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.429492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.429492 (E_RNA) where: Base-Base interactions energy: -17.055 where: short stacking energy: -14.679 Base-Backbone interact. energy: -0.001 local terms energy: -15.373854 where: bonds (distance) C4'-P energy: -1.405 bonds (distance) P-C4' energy: -3.969 flat angles C4'-P-C4' energy: -3.891 flat angles P-C4'-P energy: -2.058 tors. eta vs tors. theta energy: -4.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -46.676068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.676068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.676068 (E_RNA) where: Base-Base interactions energy: -22.784 where: short stacking energy: -12.802 Base-Backbone interact. energy: -0.001 local terms energy: -23.890766 where: bonds (distance) C4'-P energy: -4.922 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.777 flat angles P-C4'-P energy: -3.612 tors. eta vs tors. theta energy: -2.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -48.264682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.264682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.264682 (E_RNA) where: Base-Base interactions energy: -21.817 where: short stacking energy: -21.817 Base-Backbone interact. energy: -0.000 local terms energy: -26.447498 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -5.124 flat angles P-C4'-P energy: -3.913 tors. eta vs tors. theta energy: -6.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -43.432185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.432185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.432185 (E_RNA) where: Base-Base interactions energy: -19.040 where: short stacking energy: -19.040 Base-Backbone interact. energy: -0.000 local terms energy: -24.391794 where: bonds (distance) C4'-P energy: -4.143 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -3.767 flat angles P-C4'-P energy: -4.417 tors. eta vs tors. theta energy: -5.844 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: 4, replica: 6 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -43.368903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.368903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.368903 (E_RNA) where: Base-Base interactions energy: -16.339 where: short stacking energy: -16.339 Base-Backbone interact. energy: -0.000 local terms energy: -27.029981 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.147 flat angles P-C4'-P energy: -4.259 tors. eta vs tors. theta energy: -3.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -45.351633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.351633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.351633 (E_RNA) where: Base-Base interactions energy: -19.679 where: short stacking energy: -19.679 Base-Backbone interact. energy: -0.001 local terms energy: -25.671479 where: bonds (distance) C4'-P energy: -6.569 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -5.584 flat angles P-C4'-P energy: -2.419 tors. eta vs tors. theta energy: -4.189 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: 6, replica: 1 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -35.736217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.736217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.736217 (E_RNA) where: Base-Base interactions energy: -12.299 where: short stacking energy: -12.299 Base-Backbone interact. energy: -0.000 local terms energy: -23.437090 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.273 flat angles C4'-P-C4' energy: -6.378 flat angles P-C4'-P energy: -4.801 tors. eta vs tors. theta energy: -0.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -39.243576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.243576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.243576 (E_RNA) where: Base-Base interactions energy: -14.202 where: short stacking energy: -14.202 Base-Backbone interact. energy: -0.002 local terms energy: -25.039718 where: bonds (distance) C4'-P energy: -4.930 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -6.245 flat angles P-C4'-P energy: -4.162 tors. eta vs tors. theta energy: -3.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -34.937441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.937441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.937441 (E_RNA) where: Base-Base interactions energy: -9.562 where: short stacking energy: -9.562 Base-Backbone interact. energy: -0.014 local terms energy: -25.361092 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -4.759 flat angles P-C4'-P energy: -5.423 tors. eta vs tors. theta energy: -2.957 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: 9, replica: 5 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -36.406758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.406758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.406758 (E_RNA) where: Base-Base interactions energy: -11.417 where: short stacking energy: -11.417 Base-Backbone interact. energy: -0.002 local terms energy: -24.987848 where: bonds (distance) C4'-P energy: -4.657 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.503 flat angles P-C4'-P energy: -2.909 tors. eta vs tors. theta energy: -4.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -35.119929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.119929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.119929 (E_RNA) where: Base-Base interactions energy: -15.641 where: short stacking energy: -15.641 Base-Backbone interact. energy: -0.038 local terms energy: -19.440856 where: bonds (distance) C4'-P energy: -1.513 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -5.618 flat angles P-C4'-P energy: -4.643 tors. eta vs tors. theta energy: -2.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -49.098807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.098807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.098807 (E_RNA) where: Base-Base interactions energy: -22.552 where: short stacking energy: -22.552 Base-Backbone interact. energy: -0.000 local terms energy: -26.546898 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -6.366 flat angles P-C4'-P energy: -3.172 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: 2, replica: 7 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -46.212535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.212535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.212535 (E_RNA) where: Base-Base interactions energy: -20.629 where: short stacking energy: -20.629 Base-Backbone interact. energy: -0.000 local terms energy: -25.583586 where: bonds (distance) C4'-P energy: -4.843 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -5.727 flat angles P-C4'-P energy: -4.766 tors. eta vs tors. theta energy: -4.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -48.079911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.079911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.079911 (E_RNA) where: Base-Base interactions energy: -22.518 where: short stacking energy: -22.518 Base-Backbone interact. energy: -0.000 local terms energy: -25.561574 where: bonds (distance) C4'-P energy: -4.797 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -6.550 flat angles P-C4'-P energy: -2.761 tors. eta vs tors. theta energy: -5.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -49.714344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.714344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.714344 (E_RNA) where: Base-Base interactions energy: -21.395 where: short stacking energy: -21.395 Base-Backbone interact. energy: -0.000 local terms energy: -28.319529 where: bonds (distance) C4'-P energy: -4.292 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.559 flat angles P-C4'-P energy: -3.658 tors. eta vs tors. theta energy: -7.143 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: 6 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -39.956843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.956843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.956843 (E_RNA) where: Base-Base interactions energy: -17.240 where: short stacking energy: -17.240 Base-Backbone interact. energy: -0.002 local terms energy: -22.715303 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -3.715 flat angles P-C4'-P energy: -3.619 tors. eta vs tors. theta energy: -3.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -39.319882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.319882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.319882 (E_RNA) where: Base-Base interactions energy: -14.729 where: short stacking energy: -13.710 Base-Backbone interact. energy: -0.003 local terms energy: -24.587916 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -5.938 flat angles P-C4'-P energy: -2.991 tors. eta vs tors. theta energy: -3.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -40.758502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.758502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.758502 (E_RNA) where: Base-Base interactions energy: -20.218 where: short stacking energy: -18.075 Base-Backbone interact. energy: -0.001 local terms energy: -20.539001 where: bonds (distance) C4'-P energy: -1.721 bonds (distance) P-C4' energy: -6.184 flat angles C4'-P-C4' energy: -5.783 flat angles P-C4'-P energy: -1.702 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: 5 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -41.119015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.119015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.119015 (E_RNA) where: Base-Base interactions energy: -20.536 where: short stacking energy: -20.536 Base-Backbone interact. energy: -0.001 local terms energy: -20.582114 where: bonds (distance) C4'-P energy: -3.841 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -2.735 flat angles P-C4'-P energy: -3.701 tors. eta vs tors. theta energy: -4.771 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: 4 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -35.725998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.725998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.725998 (E_RNA) where: Base-Base interactions energy: -15.818 where: short stacking energy: -13.372 Base-Backbone interact. energy: -0.011 local terms energy: -19.896231 where: bonds (distance) C4'-P energy: -3.771 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -5.324 flat angles P-C4'-P energy: -3.096 tors. eta vs tors. theta energy: -2.175 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: 409 Temperature: 1.350000 Total energy: -36.485089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.485089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.485089 (E_RNA) where: Base-Base interactions energy: -15.554 where: short stacking energy: -15.554 Base-Backbone interact. energy: -0.000 local terms energy: -20.930883 where: bonds (distance) C4'-P energy: -2.972 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -4.758 flat angles P-C4'-P energy: -4.913 tors. eta vs tors. theta energy: -2.758 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: 410 Temperature: 0.900000 Total energy: -46.372585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.372585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.372585 (E_RNA) where: Base-Base interactions energy: -19.087 where: short stacking energy: -14.482 Base-Backbone interact. energy: -0.002 local terms energy: -27.283960 where: bonds (distance) C4'-P energy: -4.748 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -6.363 flat angles P-C4'-P energy: -4.817 tors. eta vs tors. theta energy: -5.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -50.650277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.650277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.650277 (E_RNA) where: Base-Base interactions energy: -22.119 where: short stacking energy: -22.119 Base-Backbone interact. energy: -0.000 local terms energy: -28.531753 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -5.446 flat angles P-C4'-P energy: -4.491 tors. eta vs tors. theta energy: -6.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -45.096156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.096156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.096156 (E_RNA) where: Base-Base interactions energy: -17.283 where: short stacking energy: -17.283 Base-Backbone interact. energy: -0.000 local terms energy: -27.813399 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -5.471 flat angles P-C4'-P energy: -4.640 tors. eta vs tors. theta energy: -6.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -42.848251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.848251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.848251 (E_RNA) where: Base-Base interactions energy: -16.404 where: short stacking energy: -16.404 Base-Backbone interact. energy: -0.000 local terms energy: -26.444232 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.476 flat angles P-C4'-P energy: -3.082 tors. eta vs tors. theta energy: -4.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -42.102849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.102849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.102849 (E_RNA) where: Base-Base interactions energy: -21.357 where: short stacking energy: -21.357 Base-Backbone interact. energy: -0.000 local terms energy: -20.745808 where: bonds (distance) C4'-P energy: -2.872 bonds (distance) P-C4' energy: -4.877 flat angles C4'-P-C4' energy: -4.585 flat angles P-C4'-P energy: -3.429 tors. eta vs tors. theta energy: -4.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -36.974648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.974648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.974648 (E_RNA) where: Base-Base interactions energy: -16.184 where: short stacking energy: -16.184 Base-Backbone interact. energy: -0.000 local terms energy: -20.790496 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -5.892 flat angles C4'-P-C4' energy: -5.500 flat angles P-C4'-P energy: -0.086 tors. eta vs tors. theta energy: -4.044 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: 5 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -37.019857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.019857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.019857 (E_RNA) where: Base-Base interactions energy: -12.963 where: short stacking energy: -12.963 Base-Backbone interact. energy: -0.000 local terms energy: -24.057040 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -4.578 flat angles P-C4'-P energy: -4.461 tors. eta vs tors. theta energy: -3.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -33.998785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.998785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.998785 (E_RNA) where: Base-Base interactions energy: -11.416 where: short stacking energy: -11.416 Base-Backbone interact. energy: -0.098 local terms energy: -22.485503 where: bonds (distance) C4'-P energy: -5.047 bonds (distance) P-C4' energy: -5.189 flat angles C4'-P-C4' energy: -6.588 flat angles P-C4'-P energy: -3.863 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: 9, replica: 9 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -36.388401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.388401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.388401 (E_RNA) where: Base-Base interactions energy: -14.397 where: short stacking energy: -14.397 Base-Backbone interact. energy: -0.005 local terms energy: -21.986089 where: bonds (distance) C4'-P energy: -5.510 bonds (distance) P-C4' energy: -5.576 flat angles C4'-P-C4' energy: -5.466 flat angles P-C4'-P energy: -3.856 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: 4 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -29.733890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.733890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.733890 (E_RNA) where: Base-Base interactions energy: -13.410 where: short stacking energy: -10.880 Base-Backbone interact. energy: -0.003 local terms energy: -16.320737 where: bonds (distance) C4'-P energy: -4.863 bonds (distance) P-C4' energy: -4.032 flat angles C4'-P-C4' energy: -3.727 flat angles P-C4'-P energy: -2.463 tors. eta vs tors. theta energy: -1.236 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: 1, replica: 2 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -50.170603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.170603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.170603 (E_RNA) where: Base-Base interactions energy: -22.831 where: short stacking energy: -22.831 Base-Backbone interact. energy: -0.000 local terms energy: -27.339122 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -5.649 flat angles P-C4'-P energy: -4.158 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: 2, replica: 3 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -48.407944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.407944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.407944 (E_RNA) where: Base-Base interactions energy: -21.839 where: short stacking energy: -21.839 Base-Backbone interact. energy: -0.000 local terms energy: -26.569084 where: bonds (distance) C4'-P energy: -4.516 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -6.312 flat angles P-C4'-P energy: -4.443 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: 3, replica: 7 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -48.179123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.179123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.179123 (E_RNA) where: Base-Base interactions energy: -21.956 where: short stacking energy: -21.956 Base-Backbone interact. energy: -0.000 local terms energy: -26.223529 where: bonds (distance) C4'-P energy: -4.745 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -6.619 flat angles P-C4'-P energy: -3.819 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: 4, replica: 10 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -43.045412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.045412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.045412 (E_RNA) where: Base-Base interactions energy: -17.511 where: short stacking energy: -17.511 Base-Backbone interact. energy: -0.066 local terms energy: -25.468639 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -5.895 flat angles C4'-P-C4' energy: -6.038 flat angles P-C4'-P energy: -3.718 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: 5, replica: 8 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -37.576125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.576125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.576125 (E_RNA) where: Base-Base interactions energy: -13.918 where: short stacking energy: -13.918 Base-Backbone interact. energy: 0.206 local terms energy: -23.864584 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.748 flat angles P-C4'-P energy: -5.305 tors. eta vs tors. theta energy: -0.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -42.248873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.248873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.248873 (E_RNA) where: Base-Base interactions energy: -17.358 where: short stacking energy: -17.358 Base-Backbone interact. energy: -0.001 local terms energy: -24.889501 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -4.951 flat angles P-C4'-P energy: -4.208 tors. eta vs tors. theta energy: -3.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -40.986472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.986472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.986472 (E_RNA) where: Base-Base interactions energy: -21.593 where: short stacking energy: -12.575 Base-Backbone interact. energy: -0.019 local terms energy: -19.373913 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -2.490 flat angles C4'-P-C4' energy: -4.697 flat angles P-C4'-P energy: -2.256 tors. eta vs tors. theta energy: -3.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -37.865960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.865960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.865960 (E_RNA) where: Base-Base interactions energy: -18.886 where: short stacking energy: -14.864 Base-Backbone interact. energy: -0.102 local terms energy: -18.878100 where: bonds (distance) C4'-P energy: -3.867 bonds (distance) P-C4' energy: -4.361 flat angles C4'-P-C4' energy: -6.134 flat angles P-C4'-P energy: -1.708 tors. eta vs tors. theta energy: -2.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -34.764027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.764027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.764027 (E_RNA) where: Base-Base interactions energy: -14.252 where: short stacking energy: -12.446 Base-Backbone interact. energy: -0.009 local terms energy: -20.503480 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -4.367 flat angles P-C4'-P energy: -3.871 tors. eta vs tors. theta energy: -0.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -29.691566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.691566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.691566 (E_RNA) where: Base-Base interactions energy: -6.304 where: short stacking energy: -2.488 Base-Backbone interact. energy: -0.165 local terms energy: -23.222532 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -5.503 flat angles P-C4'-P energy: -4.162 tors. eta vs tors. theta energy: -1.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -48.398922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.398922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.398922 (E_RNA) where: Base-Base interactions energy: -22.190 where: short stacking energy: -22.190 Base-Backbone interact. energy: -0.000 local terms energy: -26.208475 where: bonds (distance) C4'-P energy: -5.133 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.991 flat angles P-C4'-P energy: -3.221 tors. eta vs tors. theta energy: -4.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -43.415165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.415165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.415165 (E_RNA) where: Base-Base interactions energy: -20.965 where: short stacking energy: -15.866 Base-Backbone interact. energy: -0.000 local terms energy: -22.450035 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -3.967 flat angles P-C4'-P energy: -2.419 tors. eta vs tors. theta energy: -3.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -35.931045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.931045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.931045 (E_RNA) where: Base-Base interactions energy: -12.447 where: short stacking energy: -10.912 Base-Backbone interact. energy: -0.051 local terms energy: -23.433055 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.125 flat angles C4'-P-C4' energy: -6.122 flat angles P-C4'-P energy: -4.718 tors. eta vs tors. theta energy: -0.718 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: 7 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -47.272073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.272073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.272073 (E_RNA) where: Base-Base interactions energy: -19.747 where: short stacking energy: -19.747 Base-Backbone interact. energy: -0.000 local terms energy: -27.525121 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.145 flat angles P-C4'-P energy: -5.029 tors. eta vs tors. theta energy: -4.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -47.915136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.915136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.915136 (E_RNA) where: Base-Base interactions energy: -20.421 where: short stacking energy: -20.421 Base-Backbone interact. energy: -0.002 local terms energy: -27.491506 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -5.610 flat angles C4'-P-C4' energy: -6.168 flat angles P-C4'-P energy: -3.446 tors. eta vs tors. theta energy: -6.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -35.962656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.962656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.962656 (E_RNA) where: Base-Base interactions energy: -13.450 where: short stacking energy: -13.450 Base-Backbone interact. energy: -0.088 local terms energy: -22.424555 where: bonds (distance) C4'-P energy: -3.600 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.681 flat angles P-C4'-P energy: -3.402 tors. eta vs tors. theta energy: -3.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -39.758712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.758712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.758712 (E_RNA) where: Base-Base interactions energy: -14.583 where: short stacking energy: -14.583 Base-Backbone interact. energy: -0.000 local terms energy: -25.175245 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.398 flat angles P-C4'-P energy: -3.591 tors. eta vs tors. theta energy: -2.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -37.690058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.690058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.690058 (E_RNA) where: Base-Base interactions energy: -13.257 where: short stacking energy: -13.257 Base-Backbone interact. energy: -0.000 local terms energy: -24.432551 where: bonds (distance) C4'-P energy: -4.508 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.947 flat angles P-C4'-P energy: -5.063 tors. eta vs tors. theta energy: -3.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -29.698676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.698676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.698676 (E_RNA) where: Base-Base interactions energy: -9.398 where: short stacking energy: -9.398 Base-Backbone interact. energy: -0.002 local terms energy: -20.299433 where: bonds (distance) C4'-P energy: -3.001 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -6.078 flat angles P-C4'-P energy: -3.438 tors. eta vs tors. theta energy: -1.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -31.762236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.762236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.762236 (E_RNA) where: Base-Base interactions energy: -8.641 where: short stacking energy: -8.641 Base-Backbone interact. energy: -0.005 local terms energy: -23.115772 where: bonds (distance) C4'-P energy: -4.735 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.406 flat angles P-C4'-P energy: -3.675 tors. eta vs tors. theta energy: -3.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -42.379147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.379147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.379147 (E_RNA) where: Base-Base interactions energy: -20.580 where: short stacking energy: -14.579 Base-Backbone interact. energy: -0.013 local terms energy: -21.786074 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -4.209 flat angles P-C4'-P energy: -4.194 tors. eta vs tors. theta energy: -1.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -42.814528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.814528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.814528 (E_RNA) where: Base-Base interactions energy: -18.030 where: short stacking energy: -18.030 Base-Backbone interact. energy: -0.000 local terms energy: -24.784734 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -6.097 flat angles P-C4'-P energy: -3.417 tors. eta vs tors. theta energy: -3.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -42.314736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.314736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.314736 (E_RNA) where: Base-Base interactions energy: -19.051 where: short stacking energy: -19.051 Base-Backbone interact. energy: -0.003 local terms energy: -23.260858 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -3.957 flat angles P-C4'-P energy: -0.203 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: 4, replica: 6 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -36.234139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.234139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.234139 (E_RNA) where: Base-Base interactions energy: -13.714 where: short stacking energy: -13.714 Base-Backbone interact. energy: -0.102 local terms energy: -22.417666 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.335 flat angles P-C4'-P energy: -4.635 tors. eta vs tors. theta energy: -1.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -42.074097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.074097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.074097 (E_RNA) where: Base-Base interactions energy: -18.018 where: short stacking energy: -13.122 Base-Backbone interact. energy: -0.000 local terms energy: -24.056176 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -6.128 flat angles C4'-P-C4' energy: -4.701 flat angles P-C4'-P energy: -4.560 tors. eta vs tors. theta energy: -3.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -36.868067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.868067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.868067 (E_RNA) where: Base-Base interactions energy: -14.309 where: short stacking energy: -14.309 Base-Backbone interact. energy: -0.000 local terms energy: -22.558542 where: bonds (distance) C4'-P energy: -4.632 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.958 flat angles P-C4'-P energy: -3.654 tors. eta vs tors. theta energy: -1.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -34.038821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.038821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.038821 (E_RNA) where: Base-Base interactions energy: -12.138 where: short stacking energy: -12.138 Base-Backbone interact. energy: -0.063 local terms energy: -21.838084 where: bonds (distance) C4'-P energy: -4.408 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -3.767 flat angles P-C4'-P energy: -2.987 tors. eta vs tors. theta energy: -4.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -36.025175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.025175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.025175 (E_RNA) where: Base-Base interactions energy: -14.888 where: short stacking energy: -10.505 Base-Backbone interact. energy: -0.550 local terms energy: -20.587402 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.025 flat angles P-C4'-P energy: -4.226 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: 413 Temperature: 1.300000 Total energy: -31.126645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.126645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.126645 (E_RNA) where: Base-Base interactions energy: -11.454 where: short stacking energy: -11.454 Base-Backbone interact. energy: -0.058 local terms energy: -19.614138 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -3.804 flat angles P-C4'-P energy: -2.420 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: 1 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -31.008960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.008960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.008960 (E_RNA) where: Base-Base interactions energy: -8.980 where: short stacking energy: -8.980 Base-Backbone interact. energy: -0.180 local terms energy: -21.848268 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.963 flat angles P-C4'-P energy: -4.980 tors. eta vs tors. theta energy: 0.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -54.455662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.455662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.455662 (E_RNA) where: Base-Base interactions energy: -25.678 where: short stacking energy: -25.678 Base-Backbone interact. energy: -0.000 local terms energy: -28.777287 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.144 flat angles P-C4'-P energy: -4.328 tors. eta vs tors. theta energy: -6.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -44.816933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.816933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.816933 (E_RNA) where: Base-Base interactions energy: -27.922 where: short stacking energy: -17.166 Base-Backbone interact. energy: -0.104 local terms energy: -16.790557 where: bonds (distance) C4'-P energy: -4.525 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -1.400 flat angles P-C4'-P energy: -2.652 tors. eta vs tors. theta energy: -1.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -57.066940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.066940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.066940 (E_RNA) where: Base-Base interactions energy: -32.248 where: short stacking energy: -15.291 Base-Backbone interact. energy: -0.243 local terms energy: -24.575922 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -5.171 flat angles P-C4'-P energy: -4.749 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: 4, replica: 6 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -46.091694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.091694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.091694 (E_RNA) where: Base-Base interactions energy: -22.243 where: short stacking energy: -22.243 Base-Backbone interact. energy: -0.000 local terms energy: -23.848846 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -4.911 flat angles P-C4'-P energy: -2.967 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: 5, replica: 7 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -46.585227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.585227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.585227 (E_RNA) where: Base-Base interactions energy: -21.007 where: short stacking energy: -21.007 Base-Backbone interact. energy: -0.000 local terms energy: -25.577748 where: bonds (distance) C4'-P energy: -2.641 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.256 flat angles P-C4'-P energy: -4.437 tors. eta vs tors. theta energy: -6.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -42.225708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.225708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.225708 (E_RNA) where: Base-Base interactions energy: -20.543 where: short stacking energy: -20.543 Base-Backbone interact. energy: -0.000 local terms energy: -21.682539 where: bonds (distance) C4'-P energy: -1.941 bonds (distance) P-C4' energy: -5.438 flat angles C4'-P-C4' energy: -3.586 flat angles P-C4'-P energy: -5.374 tors. eta vs tors. theta energy: -5.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -37.811202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.811202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.811202 (E_RNA) where: Base-Base interactions energy: -16.996 where: short stacking energy: -16.996 Base-Backbone interact. energy: -0.018 local terms energy: -20.797886 where: bonds (distance) C4'-P energy: -2.997 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -5.416 flat angles P-C4'-P energy: -3.442 tors. eta vs tors. theta energy: -4.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -32.189978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.189978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.189978 (E_RNA) where: Base-Base interactions energy: -10.137 where: short stacking energy: -10.137 Base-Backbone interact. energy: -0.019 local terms energy: -22.034444 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.726 flat angles P-C4'-P energy: -1.459 tors. eta vs tors. theta energy: -2.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -34.806474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.806474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.806474 (E_RNA) where: Base-Base interactions energy: -14.315 where: short stacking energy: -14.315 Base-Backbone interact. energy: -0.003 local terms energy: -20.488055 where: bonds (distance) C4'-P energy: -4.454 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -5.356 flat angles P-C4'-P energy: -3.393 tors. eta vs tors. theta energy: -1.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -35.684294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.684294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.684294 (E_RNA) where: Base-Base interactions energy: -15.063 where: short stacking energy: -15.063 Base-Backbone interact. energy: -0.000 local terms energy: -20.621134 where: bonds (distance) C4'-P energy: -4.515 bonds (distance) P-C4' energy: -3.936 flat angles C4'-P-C4' energy: -4.174 flat angles P-C4'-P energy: -4.373 tors. eta vs tors. theta energy: -3.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -50.625120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.625120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.625120 (E_RNA) where: Base-Base interactions energy: -23.492 where: short stacking energy: -23.492 Base-Backbone interact. energy: -0.000 local terms energy: -27.132860 where: bonds (distance) C4'-P energy: -4.639 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -4.026 flat angles P-C4'-P energy: -4.930 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: 2, replica: 10 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -45.779326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.779326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.779326 (E_RNA) where: Base-Base interactions energy: -19.145 where: short stacking energy: -19.145 Base-Backbone interact. energy: -0.001 local terms energy: -26.633848 where: bonds (distance) C4'-P energy: -4.727 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.486 flat angles P-C4'-P energy: -5.171 tors. eta vs tors. theta energy: -5.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -40.424761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.424761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.424761 (E_RNA) where: Base-Base interactions energy: -13.569 where: short stacking energy: -13.569 Base-Backbone interact. energy: -0.000 local terms energy: -26.855968 where: bonds (distance) C4'-P energy: -4.322 bonds (distance) P-C4' energy: -6.358 flat angles C4'-P-C4' energy: -6.038 flat angles P-C4'-P energy: -5.405 tors. eta vs tors. theta energy: -4.734 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: 4, replica: 7 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -45.649488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.649488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.649488 (E_RNA) where: Base-Base interactions energy: -20.178 where: short stacking energy: -20.178 Base-Backbone interact. energy: -0.000 local terms energy: -25.471468 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.076 flat angles P-C4'-P energy: -3.523 tors. eta vs tors. theta energy: -3.868 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: 5, replica: 6 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -37.617240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.617240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.617240 (E_RNA) where: Base-Base interactions energy: -10.962 where: short stacking energy: -10.962 Base-Backbone interact. energy: -0.103 local terms energy: -26.552210 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -6.646 flat angles P-C4'-P energy: -5.305 tors. eta vs tors. theta energy: -1.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -35.279784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.279784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.279784 (E_RNA) where: Base-Base interactions energy: -17.008 where: short stacking energy: -10.761 Base-Backbone interact. energy: -0.000 local terms energy: -18.271339 where: bonds (distance) C4'-P energy: -3.671 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.832 flat angles P-C4'-P energy: -1.386 tors. eta vs tors. theta energy: -0.948 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: 415 Temperature: 1.200000 Total energy: -36.888982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.888982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.888982 (E_RNA) where: Base-Base interactions energy: -12.018 where: short stacking energy: -12.018 Base-Backbone interact. energy: -0.001 local terms energy: -24.870549 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -5.867 flat angles C4'-P-C4' energy: -6.222 flat angles P-C4'-P energy: -2.913 tors. eta vs tors. theta energy: -3.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -36.240923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.240923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.240923 (E_RNA) where: Base-Base interactions energy: -14.918 where: short stacking energy: -14.918 Base-Backbone interact. energy: -0.099 local terms energy: -21.223469 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -2.718 flat angles P-C4'-P energy: -3.190 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: 415 Temperature: 1.300000 Total energy: -35.338931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.338931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.338931 (E_RNA) where: Base-Base interactions energy: -11.287 where: short stacking energy: -11.287 Base-Backbone interact. energy: -0.002 local terms energy: -24.049853 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.519 flat angles P-C4'-P energy: -1.439 tors. eta vs tors. theta energy: -4.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -36.787841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.787841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.787841 (E_RNA) where: Base-Base interactions energy: -13.457 where: short stacking energy: -13.457 Base-Backbone interact. energy: -0.021 local terms energy: -23.309435 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -6.381 flat angles P-C4'-P energy: -3.310 tors. eta vs tors. theta energy: -1.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -46.055676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.055676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.055676 (E_RNA) where: Base-Base interactions energy: -18.789 where: short stacking energy: -18.789 Base-Backbone interact. energy: -0.024 local terms energy: -27.242804 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.945 flat angles C4'-P-C4' energy: -6.376 flat angles P-C4'-P energy: -3.872 tors. eta vs tors. theta energy: -4.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -43.536735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.536735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.536735 (E_RNA) where: Base-Base interactions energy: -18.972 where: short stacking energy: -18.972 Base-Backbone interact. energy: -0.001 local terms energy: -24.563459 where: bonds (distance) C4'-P energy: -3.253 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -6.135 flat angles P-C4'-P energy: -5.156 tors. eta vs tors. theta energy: -4.426 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: 7 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -41.886155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.886155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.886155 (E_RNA) where: Base-Base interactions energy: -16.508 where: short stacking energy: -16.508 Base-Backbone interact. energy: -0.000 local terms energy: -25.378509 where: bonds (distance) C4'-P energy: -5.733 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -3.930 flat angles P-C4'-P energy: -4.330 tors. eta vs tors. theta energy: -5.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -34.617176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.617176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.617176 (E_RNA) where: Base-Base interactions energy: -14.924 where: short stacking energy: -14.924 Base-Backbone interact. energy: -0.099 local terms energy: -19.594722 where: bonds (distance) C4'-P energy: -2.404 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -4.204 flat angles P-C4'-P energy: -3.860 tors. eta vs tors. theta energy: -2.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -44.163035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.163035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.163035 (E_RNA) where: Base-Base interactions energy: -18.277 where: short stacking energy: -18.277 Base-Backbone interact. energy: -0.004 local terms energy: -25.882115 where: bonds (distance) C4'-P energy: -4.337 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -5.096 flat angles P-C4'-P energy: -4.446 tors. eta vs tors. theta energy: -5.350 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: 4 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -36.021448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.021448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.021448 (E_RNA) where: Base-Base interactions energy: -15.590 where: short stacking energy: -15.590 Base-Backbone interact. energy: -0.000 local terms energy: -20.431225 where: bonds (distance) C4'-P energy: -2.758 bonds (distance) P-C4' energy: -4.910 flat angles C4'-P-C4' energy: -5.588 flat angles P-C4'-P energy: -2.169 tors. eta vs tors. theta energy: -5.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -32.827897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.827897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.827897 (E_RNA) where: Base-Base interactions energy: -11.421 where: short stacking energy: -11.421 Base-Backbone interact. energy: 0.212 local terms energy: -21.619063 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -4.589 flat angles C4'-P-C4' energy: -6.013 flat angles P-C4'-P energy: -2.817 tors. eta vs tors. theta energy: -3.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -34.288965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.288965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.288965 (E_RNA) where: Base-Base interactions energy: -16.599 where: short stacking energy: -16.599 Base-Backbone interact. energy: -0.082 local terms energy: -17.607182 where: bonds (distance) C4'-P energy: -0.513 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -5.601 flat angles P-C4'-P energy: -1.594 tors. eta vs tors. theta energy: -3.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -26.456096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.456096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.456096 (E_RNA) where: Base-Base interactions energy: -7.997 where: short stacking energy: -7.997 Base-Backbone interact. energy: -0.005 local terms energy: -18.454178 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -6.412 flat angles P-C4'-P energy: -1.975 tors. eta vs tors. theta energy: 1.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -34.809308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.809308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.809308 (E_RNA) where: Base-Base interactions energy: -12.838 where: short stacking energy: -10.556 Base-Backbone interact. energy: -0.001 local terms energy: -21.970372 where: bonds (distance) C4'-P energy: -4.259 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -4.572 flat angles P-C4'-P energy: -3.022 tors. eta vs tors. theta energy: -3.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -48.698312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.698312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.698312 (E_RNA) where: Base-Base interactions energy: -20.727 where: short stacking energy: -20.727 Base-Backbone interact. energy: -0.000 local terms energy: -27.971626 where: bonds (distance) C4'-P energy: -4.587 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -6.130 flat angles P-C4'-P energy: -4.229 tors. eta vs tors. theta energy: -7.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -46.272767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.272767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.272767 (E_RNA) where: Base-Base interactions energy: -22.871 where: short stacking energy: -22.871 Base-Backbone interact. energy: -0.000 local terms energy: -23.401322 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -4.230 flat angles C4'-P-C4' energy: -5.077 flat angles P-C4'-P energy: -3.532 tors. eta vs tors. theta energy: -5.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -40.337965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.337965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.337965 (E_RNA) where: Base-Base interactions energy: -18.159 where: short stacking energy: -18.159 Base-Backbone interact. energy: -0.002 local terms energy: -22.176767 where: bonds (distance) C4'-P energy: -3.270 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -5.518 flat angles P-C4'-P energy: -5.450 tors. eta vs tors. theta energy: -1.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -42.601025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.601025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.601025 (E_RNA) where: Base-Base interactions energy: -20.005 where: short stacking energy: -20.005 Base-Backbone interact. energy: -0.002 local terms energy: -22.593978 where: bonds (distance) C4'-P energy: -4.835 bonds (distance) P-C4' energy: -6.125 flat angles C4'-P-C4' energy: -1.807 flat angles P-C4'-P energy: -4.310 tors. eta vs tors. theta energy: -5.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -42.259263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.259263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.259263 (E_RNA) where: Base-Base interactions energy: -18.368 where: short stacking energy: -14.513 Base-Backbone interact. energy: -0.000 local terms energy: -23.890698 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -3.969 flat angles C4'-P-C4' energy: -5.393 flat angles P-C4'-P energy: -2.106 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: 6, replica: 4 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -40.267713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.267713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.267713 (E_RNA) where: Base-Base interactions energy: -18.463 where: short stacking energy: -18.463 Base-Backbone interact. energy: -0.001 local terms energy: -21.803568 where: bonds (distance) C4'-P energy: -3.965 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.501 flat angles P-C4'-P energy: -3.582 tors. eta vs tors. theta energy: -2.877 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: 1 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -38.260663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.260663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.260663 (E_RNA) where: Base-Base interactions energy: -16.399 where: short stacking energy: -11.701 Base-Backbone interact. energy: -0.044 local terms energy: -21.817208 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -5.658 flat angles P-C4'-P energy: -3.883 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: 5 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -36.158952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.158952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.158952 (E_RNA) where: Base-Base interactions energy: -13.720 where: short stacking energy: -13.720 Base-Backbone interact. energy: -0.000 local terms energy: -22.438644 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -3.448 flat angles P-C4'-P energy: -3.211 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: 9, replica: 9 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -31.494304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.494304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.494304 (E_RNA) where: Base-Base interactions energy: -8.884 where: short stacking energy: -8.884 Base-Backbone interact. energy: -0.053 local terms energy: -22.557907 where: bonds (distance) C4'-P energy: -4.115 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.541 flat angles P-C4'-P energy: -3.976 tors. eta vs tors. theta energy: -2.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -31.353794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.353794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.353794 (E_RNA) where: Base-Base interactions energy: -11.835 where: short stacking energy: -11.835 Base-Backbone interact. energy: -0.100 local terms energy: -19.419746 where: bonds (distance) C4'-P energy: -2.704 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.026 flat angles P-C4'-P energy: -3.455 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: 1, replica: 7 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -48.875326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.875326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.875326 (E_RNA) where: Base-Base interactions energy: -22.055 where: short stacking energy: -22.055 Base-Backbone interact. energy: -0.000 local terms energy: -26.819786 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -5.631 flat angles C4'-P-C4' energy: -6.043 flat angles P-C4'-P energy: -3.460 tors. eta vs tors. theta energy: -6.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -43.298160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.298160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.298160 (E_RNA) where: Base-Base interactions energy: -17.549 where: short stacking energy: -16.063 Base-Backbone interact. energy: -0.096 local terms energy: -25.653021 where: bonds (distance) C4'-P energy: -5.427 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -6.078 flat angles P-C4'-P energy: -2.595 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: 3, replica: 6 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -42.578261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.578261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.578261 (E_RNA) where: Base-Base interactions energy: -19.164 where: short stacking energy: -19.164 Base-Backbone interact. energy: -0.000 local terms energy: -23.414286 where: bonds (distance) C4'-P energy: -5.626 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -5.561 flat angles P-C4'-P energy: -3.462 tors. eta vs tors. theta energy: -2.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -44.419346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.419346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.419346 (E_RNA) where: Base-Base interactions energy: -21.436 where: short stacking energy: -21.436 Base-Backbone interact. energy: -0.016 local terms energy: -22.967669 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -6.451 flat angles P-C4'-P energy: -2.633 tors. eta vs tors. theta energy: -2.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -44.482529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.482529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.482529 (E_RNA) where: Base-Base interactions energy: -18.570 where: short stacking energy: -13.863 Base-Backbone interact. energy: -0.000 local terms energy: -25.912000 where: bonds (distance) C4'-P energy: -4.975 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -6.081 flat angles P-C4'-P energy: -4.749 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: 3 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -39.098424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.098424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.098424 (E_RNA) where: Base-Base interactions energy: -17.697 where: short stacking energy: -17.697 Base-Backbone interact. energy: -0.000 local terms energy: -21.401381 where: bonds (distance) C4'-P energy: -1.826 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.055 flat angles P-C4'-P energy: -2.423 tors. eta vs tors. theta energy: -5.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -37.720057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.720057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.720057 (E_RNA) where: Base-Base interactions energy: -15.505 where: short stacking energy: -15.338 Base-Backbone interact. energy: -0.098 local terms energy: -22.116930 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -3.994 flat angles C4'-P-C4' energy: -5.179 flat angles P-C4'-P energy: -4.204 tors. eta vs tors. theta energy: -3.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -33.994461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.994461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.994461 (E_RNA) where: Base-Base interactions energy: -11.823 where: short stacking energy: -11.401 Base-Backbone interact. energy: -0.050 local terms energy: -22.121265 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.273 flat angles P-C4'-P energy: -3.686 tors. eta vs tors. theta energy: -1.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -39.641964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.641964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.641964 (E_RNA) where: Base-Base interactions energy: -14.159 where: short stacking energy: -14.159 Base-Backbone interact. energy: -0.093 local terms energy: -25.389854 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -3.066 flat angles P-C4'-P energy: -4.574 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: 10, replica: 9 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -36.917244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.917244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.917244 (E_RNA) where: Base-Base interactions energy: -24.469 where: short stacking energy: -15.291 Base-Backbone interact. energy: -0.001 local terms energy: -12.447475 where: bonds (distance) C4'-P energy: -5.287 bonds (distance) P-C4' energy: -0.896 flat angles C4'-P-C4' energy: -3.846 flat angles P-C4'-P energy: 2.310 tors. eta vs tors. theta energy: -4.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -49.062582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.062582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.062582 (E_RNA) where: Base-Base interactions energy: -22.147 where: short stacking energy: -22.147 Base-Backbone interact. energy: -0.000 local terms energy: -26.915206 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.605 flat angles P-C4'-P energy: -4.346 tors. eta vs tors. theta energy: -5.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -46.126307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.126307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.126307 (E_RNA) where: Base-Base interactions energy: -19.032 where: short stacking energy: -19.032 Base-Backbone interact. energy: -0.014 local terms energy: -27.080413 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.496 flat angles P-C4'-P energy: -5.191 tors. eta vs tors. theta energy: -4.367 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: 3, replica: 2 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -45.811171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.811171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.811171 (E_RNA) where: Base-Base interactions energy: -21.763 where: short stacking energy: -16.760 Base-Backbone interact. energy: -0.000 local terms energy: -24.047602 where: bonds (distance) C4'-P energy: -4.959 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -5.791 flat angles P-C4'-P energy: -4.578 tors. eta vs tors. theta energy: -3.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -41.231906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.231906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.231906 (E_RNA) where: Base-Base interactions energy: -18.533 where: short stacking energy: -15.947 Base-Backbone interact. energy: -0.000 local terms energy: -22.698350 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -5.628 flat angles C4'-P-C4' energy: -3.188 flat angles P-C4'-P energy: -1.784 tors. eta vs tors. theta energy: -6.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -40.752776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.752776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.752776 (E_RNA) where: Base-Base interactions energy: -15.428 where: short stacking energy: -15.428 Base-Backbone interact. energy: -0.000 local terms energy: -25.324700 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.071 flat angles P-C4'-P energy: -3.455 tors. eta vs tors. theta energy: -4.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -37.755755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.755755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.755755 (E_RNA) where: Base-Base interactions energy: -17.491 where: short stacking energy: -17.491 Base-Backbone interact. energy: -0.000 local terms energy: -20.264617 where: bonds (distance) C4'-P energy: -4.019 bonds (distance) P-C4' energy: -6.358 flat angles C4'-P-C4' energy: -0.774 flat angles P-C4'-P energy: -3.966 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: 7, replica: 3 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -38.487688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.487688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.487688 (E_RNA) where: Base-Base interactions energy: -16.699 where: short stacking energy: -16.699 Base-Backbone interact. energy: -0.095 local terms energy: -21.693850 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -5.107 flat angles C4'-P-C4' energy: -4.326 flat angles P-C4'-P energy: -2.686 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: 8, replica: 8 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -31.599578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.599578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.599578 (E_RNA) where: Base-Base interactions energy: -12.828 where: short stacking energy: -9.327 Base-Backbone interact. energy: -0.129 local terms energy: -18.642705 where: bonds (distance) C4'-P energy: -5.178 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -3.870 flat angles P-C4'-P energy: -1.698 tors. eta vs tors. theta energy: -1.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -36.027009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.027009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.027009 (E_RNA) where: Base-Base interactions energy: -14.500 where: short stacking energy: -14.242 Base-Backbone interact. energy: -0.036 local terms energy: -21.491003 where: bonds (distance) C4'-P energy: -4.230 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -6.214 flat angles P-C4'-P energy: -3.779 tors. eta vs tors. theta energy: -1.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -32.166569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.166569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.166569 (E_RNA) where: Base-Base interactions energy: -15.383 where: short stacking energy: -15.383 Base-Backbone interact. energy: -0.071 local terms energy: -16.712754 where: bonds (distance) C4'-P energy: -4.027 bonds (distance) P-C4' energy: -3.607 flat angles C4'-P-C4' energy: -4.412 flat angles P-C4'-P energy: -2.375 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: 1, replica: 6 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -41.751949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.751949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.751949 (E_RNA) where: Base-Base interactions energy: -19.237 where: short stacking energy: -19.237 Base-Backbone interact. energy: -0.000 local terms energy: -22.515339 where: bonds (distance) C4'-P energy: -4.169 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -5.333 flat angles P-C4'-P energy: -3.776 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: 2, replica: 7 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -51.214476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.214476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.214476 (E_RNA) where: Base-Base interactions energy: -23.412 where: short stacking energy: -23.412 Base-Backbone interact. energy: -0.000 local terms energy: -27.802740 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.779 flat angles P-C4'-P energy: -4.728 tors. eta vs tors. theta energy: -4.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -40.869341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.869341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.869341 (E_RNA) where: Base-Base interactions energy: -20.971 where: short stacking energy: -11.507 Base-Backbone interact. energy: -0.013 local terms energy: -19.885531 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.587 flat angles P-C4'-P energy: -2.417 tors. eta vs tors. theta energy: 0.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -42.069516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.069516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.069516 (E_RNA) where: Base-Base interactions energy: -22.895 where: short stacking energy: -22.895 Base-Backbone interact. energy: -0.001 local terms energy: -19.173308 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -1.467 flat angles P-C4'-P energy: -1.882 tors. eta vs tors. theta energy: -3.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -36.725886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.725886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.725886 (E_RNA) where: Base-Base interactions energy: -12.347 where: short stacking energy: -12.347 Base-Backbone interact. energy: -0.012 local terms energy: -24.366584 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.625 flat angles P-C4'-P energy: -3.952 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: 6, replica: 10 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -34.300471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.300471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.300471 (E_RNA) where: Base-Base interactions energy: -14.333 where: short stacking energy: -14.333 Base-Backbone interact. energy: -0.006 local terms energy: -19.961198 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -3.280 flat angles P-C4'-P energy: -4.705 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: 7, replica: 8 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -35.959566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.959566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.959566 (E_RNA) where: Base-Base interactions energy: -13.896 where: short stacking energy: -13.885 Base-Backbone interact. energy: -0.000 local terms energy: -22.063625 where: bonds (distance) C4'-P energy: -4.230 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.774 flat angles P-C4'-P energy: -4.673 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: 8, replica: 3 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -37.106913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.106913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.106913 (E_RNA) where: Base-Base interactions energy: -14.345 where: short stacking energy: -14.345 Base-Backbone interact. energy: -0.000 local terms energy: -22.762366 where: bonds (distance) C4'-P energy: -3.572 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -4.360 flat angles P-C4'-P energy: -4.621 tors. eta vs tors. theta energy: -3.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -41.736529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.736529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.736529 (E_RNA) where: Base-Base interactions energy: -17.092 where: short stacking energy: -17.092 Base-Backbone interact. energy: -0.000 local terms energy: -24.644052 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.192 flat angles P-C4'-P energy: -3.210 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: 10, replica: 1 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -31.824179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.824179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.824179 (E_RNA) where: Base-Base interactions energy: -16.829 where: short stacking energy: -16.829 Base-Backbone interact. energy: 0.322 local terms energy: -15.317629 where: bonds (distance) C4'-P energy: -3.079 bonds (distance) P-C4' energy: -3.054 flat angles C4'-P-C4' energy: -2.360 flat angles P-C4'-P energy: -4.108 tors. eta vs tors. theta energy: -2.716 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: 1, replica: 6 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -49.179864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.179864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.179864 (E_RNA) where: Base-Base interactions energy: -21.640 where: short stacking energy: -21.640 Base-Backbone interact. energy: -0.000 local terms energy: -27.539793 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -5.920 flat angles C4'-P-C4' energy: -6.318 flat angles P-C4'-P energy: -3.947 tors. eta vs tors. theta energy: -5.970 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: 2, replica: 4 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -44.749555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.749555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.749555 (E_RNA) where: Base-Base interactions energy: -18.633 where: short stacking energy: -18.633 Base-Backbone interact. energy: -0.000 local terms energy: -26.116955 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -4.783 flat angles P-C4'-P energy: -5.282 tors. eta vs tors. theta energy: -3.465 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: 7 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -42.237160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.237160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.237160 (E_RNA) where: Base-Base interactions energy: -19.024 where: short stacking energy: -13.267 Base-Backbone interact. energy: -0.384 local terms energy: -22.829161 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -2.506 flat angles P-C4'-P energy: -4.243 tors. eta vs tors. theta energy: -3.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -46.883021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.883021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.883021 (E_RNA) where: Base-Base interactions energy: -19.598 where: short stacking energy: -19.598 Base-Backbone interact. energy: -0.000 local terms energy: -27.285009 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -5.914 flat angles P-C4'-P energy: -4.415 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: 5, replica: 2 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -43.460078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.460078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.460078 (E_RNA) where: Base-Base interactions energy: -17.342 where: short stacking energy: -17.342 Base-Backbone interact. energy: -0.031 local terms energy: -26.087309 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -4.872 flat angles P-C4'-P energy: -4.620 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: 6, replica: 8 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -35.245102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.245102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.245102 (E_RNA) where: Base-Base interactions energy: -13.816 where: short stacking energy: -13.816 Base-Backbone interact. energy: -0.004 local terms energy: -21.425104 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -5.826 flat angles C4'-P-C4' energy: -4.991 flat angles P-C4'-P energy: -3.563 tors. eta vs tors. theta energy: -1.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -43.023167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.023167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.023167 (E_RNA) where: Base-Base interactions energy: -20.352 where: short stacking energy: -20.352 Base-Backbone interact. energy: -0.000 local terms energy: -22.671546 where: bonds (distance) C4'-P energy: -4.515 bonds (distance) P-C4' energy: -4.846 flat angles C4'-P-C4' energy: -4.802 flat angles P-C4'-P energy: -4.273 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: 8, replica: 9 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -35.041804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.041804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.041804 (E_RNA) where: Base-Base interactions energy: -20.343 where: short stacking energy: -4.708 Base-Backbone interact. energy: -0.101 local terms energy: -14.597693 where: bonds (distance) C4'-P energy: -5.047 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -3.386 flat angles P-C4'-P energy: -0.106 tors. eta vs tors. theta energy: 0.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -34.218272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.218272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.218272 (E_RNA) where: Base-Base interactions energy: -11.811 where: short stacking energy: -11.811 Base-Backbone interact. energy: -0.099 local terms energy: -22.308221 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -5.506 flat angles C4'-P-C4' energy: -5.255 flat angles P-C4'-P energy: -5.470 tors. eta vs tors. theta energy: -0.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -34.649333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.649333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.649333 (E_RNA) where: Base-Base interactions energy: -13.369 where: short stacking energy: -7.683 Base-Backbone interact. energy: -0.005 local terms energy: -21.275119 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -3.973 flat angles P-C4'-P energy: -4.771 tors. eta vs tors. theta energy: -2.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -47.104571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.104571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.104571 (E_RNA) where: Base-Base interactions energy: -22.564 where: short stacking energy: -22.564 Base-Backbone interact. energy: -0.000 local terms energy: -24.539849 where: bonds (distance) C4'-P energy: -3.651 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.212 flat angles P-C4'-P energy: -5.712 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: 2, replica: 6 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -50.266501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.266501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.266501 (E_RNA) where: Base-Base interactions energy: -24.985 where: short stacking energy: -24.985 Base-Backbone interact. energy: -0.000 local terms energy: -25.281057 where: bonds (distance) C4'-P energy: -2.918 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.378 flat angles P-C4'-P energy: -4.912 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: 3, replica: 5 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -43.151701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.151701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.151701 (E_RNA) where: Base-Base interactions energy: -20.786 where: short stacking energy: -20.786 Base-Backbone interact. energy: -0.000 local terms energy: -22.366157 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -4.539 flat angles C4'-P-C4' energy: -6.254 flat angles P-C4'-P energy: -0.527 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: 4, replica: 7 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -42.737325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.737325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.737325 (E_RNA) where: Base-Base interactions energy: -18.739 where: short stacking energy: -18.739 Base-Backbone interact. energy: -0.000 local terms energy: -23.998158 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -2.340 flat angles C4'-P-C4' energy: -6.116 flat angles P-C4'-P energy: -4.925 tors. eta vs tors. theta energy: -4.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -39.031982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.031982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.031982 (E_RNA) where: Base-Base interactions energy: -17.835 where: short stacking energy: -17.835 Base-Backbone interact. energy: -0.000 local terms energy: -21.196999 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -4.874 flat angles C4'-P-C4' energy: -4.417 flat angles P-C4'-P energy: -4.501 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: 6, replica: 2 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -37.023074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.023074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.023074 (E_RNA) where: Base-Base interactions energy: -16.602 where: short stacking energy: -10.598 Base-Backbone interact. energy: -0.019 local terms energy: -20.401981 where: bonds (distance) C4'-P energy: -5.767 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -4.520 flat angles P-C4'-P energy: -2.406 tors. eta vs tors. theta energy: -2.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -36.322099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.322099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.322099 (E_RNA) where: Base-Base interactions energy: -10.566 where: short stacking energy: -10.566 Base-Backbone interact. energy: -0.000 local terms energy: -25.755814 where: bonds (distance) C4'-P energy: -5.166 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -5.057 flat angles P-C4'-P energy: -4.755 tors. eta vs tors. theta energy: -5.182 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: 9 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -37.962702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.962702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.962702 (E_RNA) where: Base-Base interactions energy: -18.628 where: short stacking energy: -15.738 Base-Backbone interact. energy: -0.004 local terms energy: -19.331220 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -2.778 flat angles P-C4'-P energy: -4.726 tors. eta vs tors. theta energy: -1.217 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: 3 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -32.760478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.760478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.760478 (E_RNA) where: Base-Base interactions energy: -13.730 where: short stacking energy: -12.812 Base-Backbone interact. energy: -0.034 local terms energy: -18.996812 where: bonds (distance) C4'-P energy: -3.874 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.752 flat angles P-C4'-P energy: -3.733 tors. eta vs tors. theta energy: -0.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -31.676164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.676164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.676164 (E_RNA) where: Base-Base interactions energy: -10.547 where: short stacking energy: -10.547 Base-Backbone interact. energy: -0.030 local terms energy: -21.099117 where: bonds (distance) C4'-P energy: -3.635 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.617 flat angles P-C4'-P energy: -4.999 tors. eta vs tors. theta energy: -0.435 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: 4 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -56.624217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.624217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.624217 (E_RNA) where: Base-Base interactions energy: -25.733 where: short stacking energy: -25.733 Base-Backbone interact. energy: -0.000 local terms energy: -30.891188 where: bonds (distance) C4'-P energy: -5.286 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.045 flat angles P-C4'-P energy: -4.900 tors. eta vs tors. theta energy: -7.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -47.818574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.818574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.818574 (E_RNA) where: Base-Base interactions energy: -22.017 where: short stacking energy: -22.017 Base-Backbone interact. energy: -0.000 local terms energy: -25.801713 where: bonds (distance) C4'-P energy: -4.761 bonds (distance) P-C4' energy: -6.206 flat angles C4'-P-C4' energy: -4.463 flat angles P-C4'-P energy: -4.634 tors. eta vs tors. theta energy: -5.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -53.520237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.520237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.520237 (E_RNA) where: Base-Base interactions energy: -29.177 where: short stacking energy: -17.974 Base-Backbone interact. energy: -0.006 local terms energy: -24.336672 where: bonds (distance) C4'-P energy: -4.221 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.291 flat angles P-C4'-P energy: -3.355 tors. eta vs tors. theta energy: -3.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -42.986782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.986782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.986782 (E_RNA) where: Base-Base interactions energy: -20.730 where: short stacking energy: -20.730 Base-Backbone interact. energy: -0.060 local terms energy: -22.197041 where: bonds (distance) C4'-P energy: -5.953 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -4.626 flat angles P-C4'-P energy: -2.030 tors. eta vs tors. theta energy: -3.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -40.993039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.993039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.993039 (E_RNA) where: Base-Base interactions energy: -15.805 where: short stacking energy: -15.805 Base-Backbone interact. energy: -0.001 local terms energy: -25.187567 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -5.082 flat angles C4'-P-C4' energy: -5.787 flat angles P-C4'-P energy: -2.894 tors. eta vs tors. theta energy: -5.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -33.806521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.806521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.806521 (E_RNA) where: Base-Base interactions energy: -10.634 where: short stacking energy: -10.634 Base-Backbone interact. energy: -0.019 local terms energy: -23.153584 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.432 flat angles P-C4'-P energy: -3.719 tors. eta vs tors. theta energy: -1.669 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: 2 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -35.343661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.343661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.343661 (E_RNA) where: Base-Base interactions energy: -11.455 where: short stacking energy: -8.908 Base-Backbone interact. energy: -0.000 local terms energy: -23.888802 where: bonds (distance) C4'-P energy: -5.295 bonds (distance) P-C4' energy: -6.355 flat angles C4'-P-C4' energy: -5.649 flat angles P-C4'-P energy: -2.924 tors. eta vs tors. theta energy: -3.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -37.860620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.860620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.860620 (E_RNA) where: Base-Base interactions energy: -12.724 where: short stacking energy: -12.724 Base-Backbone interact. energy: -0.002 local terms energy: -25.135246 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.623 flat angles P-C4'-P energy: -3.920 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: 9, replica: 9 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -27.095654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.095654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.095654 (E_RNA) where: Base-Base interactions energy: -5.928 where: short stacking energy: -5.928 Base-Backbone interact. energy: -0.000 local terms energy: -21.167434 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -3.068 flat angles P-C4'-P energy: -4.176 tors. eta vs tors. theta energy: -0.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -33.027962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.027962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.027962 (E_RNA) where: Base-Base interactions energy: -12.539 where: short stacking energy: -12.539 Base-Backbone interact. energy: -0.000 local terms energy: -20.489223 where: bonds (distance) C4'-P energy: -5.163 bonds (distance) P-C4' energy: -5.826 flat angles C4'-P-C4' energy: -5.219 flat angles P-C4'-P energy: -3.506 tors. eta vs tors. theta energy: -0.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -52.497063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.497063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.497063 (E_RNA) where: Base-Base interactions energy: -23.229 where: short stacking energy: -23.229 Base-Backbone interact. energy: -0.000 local terms energy: -29.267884 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -5.530 flat angles P-C4'-P energy: -3.723 tors. eta vs tors. theta energy: -7.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -53.568655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.568655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.568655 (E_RNA) where: Base-Base interactions energy: -24.823 where: short stacking energy: -24.823 Base-Backbone interact. energy: -0.000 local terms energy: -28.745585 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -4.730 flat angles P-C4'-P energy: -4.655 tors. eta vs tors. theta energy: -7.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -36.646374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.646374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.646374 (E_RNA) where: Base-Base interactions energy: -11.822 where: short stacking energy: -11.822 Base-Backbone interact. energy: -0.093 local terms energy: -24.731036 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.013 flat angles P-C4'-P energy: -4.016 tors. eta vs tors. theta energy: -2.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -43.652929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.652929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.652929 (E_RNA) where: Base-Base interactions energy: -21.293 where: short stacking energy: -18.189 Base-Backbone interact. energy: -0.003 local terms energy: -22.356907 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -3.545 flat angles C4'-P-C4' energy: -6.449 flat angles P-C4'-P energy: -5.198 tors. eta vs tors. theta energy: -1.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -38.952742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.952742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.952742 (E_RNA) where: Base-Base interactions energy: -13.318 where: short stacking energy: -13.318 Base-Backbone interact. energy: -0.000 local terms energy: -25.635169 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -5.775 flat angles P-C4'-P energy: -2.656 tors. eta vs tors. theta energy: -4.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -44.501928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.501928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.501928 (E_RNA) where: Base-Base interactions energy: -20.496 where: short stacking energy: -20.496 Base-Backbone interact. energy: -0.005 local terms energy: -24.000930 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -6.608 flat angles P-C4'-P energy: -3.183 tors. eta vs tors. theta energy: -2.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -33.610092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.610092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.610092 (E_RNA) where: Base-Base interactions energy: -16.631 where: short stacking energy: -16.631 Base-Backbone interact. energy: -0.013 local terms energy: -16.965814 where: bonds (distance) C4'-P energy: -4.292 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -4.815 flat angles P-C4'-P energy: -1.662 tors. eta vs tors. theta energy: -1.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -34.616680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.616680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.616680 (E_RNA) where: Base-Base interactions energy: -12.038 where: short stacking energy: -12.038 Base-Backbone interact. energy: -0.000 local terms energy: -22.579001 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -5.040 flat angles C4'-P-C4' energy: -5.925 flat angles P-C4'-P energy: -4.456 tors. eta vs tors. theta energy: -1.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -39.062097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.062097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.062097 (E_RNA) where: Base-Base interactions energy: -16.549 where: short stacking energy: -16.549 Base-Backbone interact. energy: -0.000 local terms energy: -22.512620 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -3.496 flat angles P-C4'-P energy: -3.126 tors. eta vs tors. theta energy: -4.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -28.095819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.095819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.095819 (E_RNA) where: Base-Base interactions energy: -9.954 where: short stacking energy: -9.954 Base-Backbone interact. energy: -0.113 local terms energy: -18.028795 where: bonds (distance) C4'-P energy: -5.277 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -3.594 flat angles P-C4'-P energy: -3.976 tors. eta vs tors. theta energy: 0.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -54.876589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.876589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.876589 (E_RNA) where: Base-Base interactions energy: -24.659 where: short stacking energy: -24.659 Base-Backbone interact. energy: -0.000 local terms energy: -30.217226 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -6.715 flat angles P-C4'-P energy: -3.490 tors. eta vs tors. theta energy: -7.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -47.264637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.264637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.264637 (E_RNA) where: Base-Base interactions energy: -20.081 where: short stacking energy: -20.081 Base-Backbone interact. energy: -0.072 local terms energy: -27.111750 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.044 flat angles P-C4'-P energy: -4.509 tors. eta vs tors. theta energy: -4.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -37.151370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.151370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.151370 (E_RNA) where: Base-Base interactions energy: -12.396 where: short stacking energy: -12.396 Base-Backbone interact. energy: -0.504 local terms energy: -24.250846 where: bonds (distance) C4'-P energy: -4.835 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -6.163 flat angles P-C4'-P energy: -4.159 tors. eta vs tors. theta energy: -1.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -36.084275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.084275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.084275 (E_RNA) where: Base-Base interactions energy: -19.075 where: short stacking energy: -8.667 Base-Backbone interact. energy: -0.056 local terms energy: -16.952574 where: bonds (distance) C4'-P energy: -3.228 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -4.543 flat angles P-C4'-P energy: -2.352 tors. eta vs tors. theta energy: -0.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -42.592615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.592615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.592615 (E_RNA) where: Base-Base interactions energy: -16.817 where: short stacking energy: -16.817 Base-Backbone interact. energy: -0.000 local terms energy: -25.775683 where: bonds (distance) C4'-P energy: -4.230 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.014 flat angles P-C4'-P energy: -3.722 tors. eta vs tors. theta energy: -4.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -40.187905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.187905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.187905 (E_RNA) where: Base-Base interactions energy: -19.571 where: short stacking energy: -19.751 Base-Backbone interact. energy: -0.014 local terms energy: -20.603032 where: bonds (distance) C4'-P energy: -3.654 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.669 flat angles P-C4'-P energy: -3.873 tors. eta vs tors. theta energy: -1.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -33.684252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.684252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.684252 (E_RNA) where: Base-Base interactions energy: -10.860 where: short stacking energy: -8.072 Base-Backbone interact. energy: -1.064 local terms energy: -21.760730 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.495 flat angles P-C4'-P energy: -2.842 tors. eta vs tors. theta energy: -1.672 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: 1 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -29.875198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.875198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.875198 (E_RNA) where: Base-Base interactions energy: -12.728 where: short stacking energy: -12.728 Base-Backbone interact. energy: -0.095 local terms energy: -17.051361 where: bonds (distance) C4'-P energy: -3.911 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -5.735 flat angles P-C4'-P energy: -0.008 tors. eta vs tors. theta energy: -1.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -38.589474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.589474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.589474 (E_RNA) where: Base-Base interactions energy: -20.809 where: short stacking energy: -10.444 Base-Backbone interact. energy: -0.013 local terms energy: -17.767594 where: bonds (distance) C4'-P energy: -4.797 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.462 flat angles P-C4'-P energy: -0.607 tors. eta vs tors. theta energy: -0.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -31.229770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.229770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.229770 (E_RNA) where: Base-Base interactions energy: -12.929 where: short stacking energy: -12.929 Base-Backbone interact. energy: 0.076 local terms energy: -18.376853 where: bonds (distance) C4'-P energy: -3.468 bonds (distance) P-C4' energy: -4.199 flat angles C4'-P-C4' energy: -4.285 flat angles P-C4'-P energy: -4.419 tors. eta vs tors. theta energy: -2.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -50.999806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.999806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.999806 (E_RNA) where: Base-Base interactions energy: -22.941 where: short stacking energy: -22.941 Base-Backbone interact. energy: -0.000 local terms energy: -28.058641 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -4.879 flat angles C4'-P-C4' energy: -5.676 flat angles P-C4'-P energy: -5.363 tors. eta vs tors. theta energy: -5.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -47.796654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.796654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.796654 (E_RNA) where: Base-Base interactions energy: -21.365 where: short stacking energy: -21.365 Base-Backbone interact. energy: -0.000 local terms energy: -26.431226 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.898 flat angles C4'-P-C4' energy: -4.465 flat angles P-C4'-P energy: -5.153 tors. eta vs tors. theta energy: -4.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -49.811408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.811408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.811408 (E_RNA) where: Base-Base interactions energy: -22.859 where: short stacking energy: -22.859 Base-Backbone interact. energy: -0.000 local terms energy: -26.952470 where: bonds (distance) C4'-P energy: -4.399 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.601 flat angles P-C4'-P energy: -4.773 tors. eta vs tors. theta energy: -5.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -39.103097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.103097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.103097 (E_RNA) where: Base-Base interactions energy: -16.017 where: short stacking energy: -13.967 Base-Backbone interact. energy: 0.974 local terms energy: -24.060103 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.113 flat angles P-C4'-P energy: -4.342 tors. eta vs tors. theta energy: -1.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -43.693670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.693670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.693670 (E_RNA) where: Base-Base interactions energy: -20.728 where: short stacking energy: -14.264 Base-Backbone interact. energy: -0.004 local terms energy: -22.961814 where: bonds (distance) C4'-P energy: -4.624 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.943 flat angles P-C4'-P energy: -4.410 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: 3 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -38.635609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.635609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.635609 (E_RNA) where: Base-Base interactions energy: -14.197 where: short stacking energy: -14.197 Base-Backbone interact. energy: -0.018 local terms energy: -24.420528 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.599 flat angles P-C4'-P energy: -5.308 tors. eta vs tors. theta energy: -1.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -42.414097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.414097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.414097 (E_RNA) where: Base-Base interactions energy: -16.511 where: short stacking energy: -16.511 Base-Backbone interact. energy: -0.002 local terms energy: -25.901073 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -5.394 flat angles P-C4'-P energy: -3.400 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: 8, replica: 7 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -32.983601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.983601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.983601 (E_RNA) where: Base-Base interactions energy: -12.863 where: short stacking energy: -10.784 Base-Backbone interact. energy: -0.033 local terms energy: -20.088074 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -5.726 flat angles P-C4'-P energy: -2.824 tors. eta vs tors. theta energy: -0.861 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: 9, replica: 9 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -35.600558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.600558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.600558 (E_RNA) where: Base-Base interactions energy: -12.676 where: short stacking energy: -12.676 Base-Backbone interact. energy: -0.000 local terms energy: -22.924697 where: bonds (distance) C4'-P energy: -4.747 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -6.641 flat angles P-C4'-P energy: -2.937 tors. eta vs tors. theta energy: -2.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -29.417928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.417928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.417928 (E_RNA) where: Base-Base interactions energy: -10.534 where: short stacking energy: -10.634 Base-Backbone interact. energy: -0.004 local terms energy: -18.879720 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -4.899 flat angles C4'-P-C4' energy: -4.741 flat angles P-C4'-P energy: -2.082 tors. eta vs tors. theta energy: -1.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -46.452014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.452014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.452014 (E_RNA) where: Base-Base interactions energy: -20.347 where: short stacking energy: -20.347 Base-Backbone interact. energy: -0.001 local terms energy: -26.103467 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -6.662 flat angles P-C4'-P energy: -3.229 tors. eta vs tors. theta energy: -3.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -48.488167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.488167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.488167 (E_RNA) where: Base-Base interactions energy: -23.860 where: short stacking energy: -18.932 Base-Backbone interact. energy: -0.052 local terms energy: -24.575405 where: bonds (distance) C4'-P energy: -5.047 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -6.026 flat angles P-C4'-P energy: -4.432 tors. eta vs tors. theta energy: -3.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -47.070344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.070344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.070344 (E_RNA) where: Base-Base interactions energy: -30.408 where: short stacking energy: -11.514 Base-Backbone interact. energy: -0.155 local terms energy: -16.507799 where: bonds (distance) C4'-P energy: -4.027 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -3.342 flat angles P-C4'-P energy: -3.126 tors. eta vs tors. theta energy: -0.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -45.594559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.594559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.594559 (E_RNA) where: Base-Base interactions energy: -21.501 where: short stacking energy: -21.501 Base-Backbone interact. energy: -0.000 local terms energy: -24.093426 where: bonds (distance) C4'-P energy: -5.100 bonds (distance) P-C4' energy: -4.071 flat angles C4'-P-C4' energy: -5.990 flat angles P-C4'-P energy: -4.093 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: 5, replica: 8 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -42.460325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.460325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.460325 (E_RNA) where: Base-Base interactions energy: -18.621 where: short stacking energy: -18.621 Base-Backbone interact. energy: -0.002 local terms energy: -23.836963 where: bonds (distance) C4'-P energy: -4.098 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -5.853 flat angles P-C4'-P energy: -3.677 tors. eta vs tors. theta energy: -4.616 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: 1 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -37.681328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.681328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.681328 (E_RNA) where: Base-Base interactions energy: -15.239 where: short stacking energy: -14.014 Base-Backbone interact. energy: -0.001 local terms energy: -22.441767 where: bonds (distance) C4'-P energy: -3.887 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -5.620 flat angles P-C4'-P energy: -5.175 tors. eta vs tors. theta energy: -2.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -39.177554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.177554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.177554 (E_RNA) where: Base-Base interactions energy: -19.751 where: short stacking energy: -11.537 Base-Backbone interact. energy: -0.130 local terms energy: -19.296971 where: bonds (distance) C4'-P energy: -3.513 bonds (distance) P-C4' energy: -4.067 flat angles C4'-P-C4' energy: -4.884 flat angles P-C4'-P energy: -3.043 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: 8, replica: 9 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -39.809821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.809821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.809821 (E_RNA) where: Base-Base interactions energy: -19.257 where: short stacking energy: -19.257 Base-Backbone interact. energy: -0.000 local terms energy: -20.552481 where: bonds (distance) C4'-P energy: -2.802 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -3.097 flat angles P-C4'-P energy: -2.871 tors. eta vs tors. theta energy: -5.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -31.105905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.105905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.105905 (E_RNA) where: Base-Base interactions energy: -9.324 where: short stacking energy: -9.324 Base-Backbone interact. energy: -0.101 local terms energy: -21.681229 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.063 flat angles P-C4'-P energy: -2.724 tors. eta vs tors. theta energy: -1.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -32.698248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.698248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.698248 (E_RNA) where: Base-Base interactions energy: -11.213 where: short stacking energy: -11.213 Base-Backbone interact. energy: -0.983 local terms energy: -20.502019 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.295 flat angles P-C4'-P energy: -1.753 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: 428 Temperature: 0.900000 Total energy: -43.290415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.290415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.290415 (E_RNA) where: Base-Base interactions energy: -22.595 where: short stacking energy: -16.763 Base-Backbone interact. energy: -0.084 local terms energy: -20.611614 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -5.649 flat angles P-C4'-P energy: -0.875 tors. eta vs tors. theta energy: -2.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -49.611283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.611283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.611283 (E_RNA) where: Base-Base interactions energy: -21.150 where: short stacking energy: -20.859 Base-Backbone interact. energy: -0.000 local terms energy: -28.461574 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.587 flat angles P-C4'-P energy: -4.436 tors. eta vs tors. theta energy: -5.285 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: 10 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -48.677669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.677669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.677669 (E_RNA) where: Base-Base interactions energy: -19.778 where: short stacking energy: -19.778 Base-Backbone interact. energy: -0.000 local terms energy: -28.899372 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.833 flat angles P-C4'-P energy: -4.537 tors. eta vs tors. theta energy: -6.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -43.729012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.729012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.729012 (E_RNA) where: Base-Base interactions energy: -20.678 where: short stacking energy: -15.430 Base-Backbone interact. energy: -0.035 local terms energy: -23.016599 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -5.583 flat angles P-C4'-P energy: -3.976 tors. eta vs tors. theta energy: -1.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -36.021207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.021207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.021207 (E_RNA) where: Base-Base interactions energy: -12.896 where: short stacking energy: -12.896 Base-Backbone interact. energy: -0.061 local terms energy: -23.063896 where: bonds (distance) C4'-P energy: -5.252 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -6.132 flat angles P-C4'-P energy: -3.316 tors. eta vs tors. theta energy: -2.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -34.062981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.062981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.062981 (E_RNA) where: Base-Base interactions energy: -16.685 where: short stacking energy: -15.563 Base-Backbone interact. energy: -0.000 local terms energy: -17.377587 where: bonds (distance) C4'-P energy: -1.477 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.250 flat angles P-C4'-P energy: -2.493 tors. eta vs tors. theta energy: -2.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -36.040654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.040654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.040654 (E_RNA) where: Base-Base interactions energy: -13.817 where: short stacking energy: -13.817 Base-Backbone interact. energy: -0.000 local terms energy: -22.223559 where: bonds (distance) C4'-P energy: -4.073 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.200 flat angles P-C4'-P energy: -1.671 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: 8, replica: 3 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -34.230901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.230901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.230901 (E_RNA) where: Base-Base interactions energy: -15.500 where: short stacking energy: -15.500 Base-Backbone interact. energy: -0.000 local terms energy: -18.730909 where: bonds (distance) C4'-P energy: -3.725 bonds (distance) P-C4' energy: -5.302 flat angles C4'-P-C4' energy: -4.780 flat angles P-C4'-P energy: -3.759 tors. eta vs tors. theta energy: -1.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -35.848699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.848699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.848699 (E_RNA) where: Base-Base interactions energy: -11.189 where: short stacking energy: -11.189 Base-Backbone interact. energy: -0.004 local terms energy: -24.656007 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -6.451 flat angles P-C4'-P energy: -2.151 tors. eta vs tors. theta energy: -2.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -34.367078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.367078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.367078 (E_RNA) where: Base-Base interactions energy: -14.940 where: short stacking energy: -11.416 Base-Backbone interact. energy: -0.000 local terms energy: -19.427005 where: bonds (distance) C4'-P energy: -4.292 bonds (distance) P-C4' energy: -4.865 flat angles C4'-P-C4' energy: -1.205 flat angles P-C4'-P energy: -2.752 tors. eta vs tors. theta energy: -6.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -44.481378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.481378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.481378 (E_RNA) where: Base-Base interactions energy: -18.874 where: short stacking energy: -18.874 Base-Backbone interact. energy: -0.000 local terms energy: -25.607729 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.661 flat angles P-C4'-P energy: -1.422 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: 2, replica: 4 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -51.189990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.189990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.189990 (E_RNA) where: Base-Base interactions energy: -23.900 where: short stacking energy: -23.900 Base-Backbone interact. energy: -0.000 local terms energy: -27.289757 where: bonds (distance) C4'-P energy: -4.959 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -5.414 flat angles P-C4'-P energy: -3.589 tors. eta vs tors. theta energy: -7.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -42.030460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.030460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.030460 (E_RNA) where: Base-Base interactions energy: -20.244 where: short stacking energy: -20.244 Base-Backbone interact. energy: -0.000 local terms energy: -21.786340 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.071 flat angles P-C4'-P energy: -3.787 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: 4, replica: 1 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -41.272797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.272797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.272797 (E_RNA) where: Base-Base interactions energy: -20.059 where: short stacking energy: -18.648 Base-Backbone interact. energy: -0.001 local terms energy: -21.212854 where: bonds (distance) C4'-P energy: -4.871 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -3.756 flat angles P-C4'-P energy: -2.661 tors. eta vs tors. theta energy: -3.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -36.060004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.060004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.060004 (E_RNA) where: Base-Base interactions energy: -11.401 where: short stacking energy: -14.757 Base-Backbone interact. energy: -0.001 local terms energy: -24.657447 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -6.206 flat angles C4'-P-C4' energy: -2.453 flat angles P-C4'-P energy: -4.351 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: 6, replica: 9 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -36.456295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.456295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.456295 (E_RNA) where: Base-Base interactions energy: -12.752 where: short stacking energy: -12.752 Base-Backbone interact. energy: -0.000 local terms energy: -23.704585 where: bonds (distance) C4'-P energy: -3.299 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.850 flat angles P-C4'-P energy: -5.184 tors. eta vs tors. theta energy: -4.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -37.205645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.205645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.205645 (E_RNA) where: Base-Base interactions energy: -13.275 where: short stacking energy: -13.275 Base-Backbone interact. energy: -0.022 local terms energy: -23.908165 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -5.038 flat angles P-C4'-P energy: -4.860 tors. eta vs tors. theta energy: -1.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -38.522087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.522087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.522087 (E_RNA) where: Base-Base interactions energy: -16.723 where: short stacking energy: -16.723 Base-Backbone interact. energy: -0.006 local terms energy: -21.793297 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -5.251 flat angles C4'-P-C4' energy: -4.831 flat angles P-C4'-P energy: -3.695 tors. eta vs tors. theta energy: -2.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -37.497443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.497443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.497443 (E_RNA) where: Base-Base interactions energy: -16.490 where: short stacking energy: -13.205 Base-Backbone interact. energy: -0.066 local terms energy: -20.941831 where: bonds (distance) C4'-P energy: -5.286 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.074 flat angles P-C4'-P energy: -4.491 tors. eta vs tors. theta energy: 0.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -34.407109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.407109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.407109 (E_RNA) where: Base-Base interactions energy: -12.864 where: short stacking energy: -12.864 Base-Backbone interact. energy: -0.001 local terms energy: -21.542437 where: bonds (distance) C4'-P energy: -3.725 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.527 flat angles P-C4'-P energy: -4.241 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: 1, replica: 4 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -47.477135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.477135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.477135 (E_RNA) where: Base-Base interactions energy: -21.355 where: short stacking energy: -21.355 Base-Backbone interact. energy: -0.000 local terms energy: -26.122277 where: bonds (distance) C4'-P energy: -5.953 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -5.970 flat angles P-C4'-P energy: -4.577 tors. eta vs tors. theta energy: -4.092 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: 430 Temperature: 0.950000 Total energy: -45.844234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.844234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.844234 (E_RNA) where: Base-Base interactions energy: -18.788 where: short stacking energy: -18.788 Base-Backbone interact. energy: -0.000 local terms energy: -27.056390 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -6.174 flat angles P-C4'-P energy: -3.562 tors. eta vs tors. theta energy: -5.588 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: 1 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -40.570887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.570887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.570887 (E_RNA) where: Base-Base interactions energy: -16.833 where: short stacking energy: -14.985 Base-Backbone interact. energy: -0.036 local terms energy: -23.702162 where: bonds (distance) C4'-P energy: -4.889 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.828 flat angles P-C4'-P energy: -3.471 tors. eta vs tors. theta energy: -3.061 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: 4, replica: 10 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -43.667752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.667752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.667752 (E_RNA) where: Base-Base interactions energy: -18.254 where: short stacking energy: -18.254 Base-Backbone interact. energy: -0.000 local terms energy: -25.413659 where: bonds (distance) C4'-P energy: -5.125 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.869 flat angles P-C4'-P energy: -4.901 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: 5, replica: 9 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -37.677211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.677211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.677211 (E_RNA) where: Base-Base interactions energy: -12.914 where: short stacking energy: -12.914 Base-Backbone interact. energy: -0.000 local terms energy: -24.763494 where: bonds (distance) C4'-P energy: -4.214 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.677 flat angles P-C4'-P energy: -4.274 tors. eta vs tors. theta energy: -2.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -36.907619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.907619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.907619 (E_RNA) where: Base-Base interactions energy: -16.641 where: short stacking energy: -13.471 Base-Backbone interact. energy: -0.005 local terms energy: -20.260987 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -4.647 flat angles C4'-P-C4' energy: -5.236 flat angles P-C4'-P energy: -3.844 tors. eta vs tors. theta energy: -0.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -40.562722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.562722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.562722 (E_RNA) where: Base-Base interactions energy: -20.244 where: short stacking energy: -14.672 Base-Backbone interact. energy: -0.341 local terms energy: -19.976827 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -4.230 flat angles C4'-P-C4' energy: -4.102 flat angles P-C4'-P energy: -5.092 tors. eta vs tors. theta energy: -1.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -38.651110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.651110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.651110 (E_RNA) where: Base-Base interactions energy: -18.289 where: short stacking energy: -18.289 Base-Backbone interact. energy: -0.000 local terms energy: -20.361934 where: bonds (distance) C4'-P energy: -4.326 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.372 flat angles P-C4'-P energy: -0.980 tors. eta vs tors. theta energy: -2.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -41.734412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.734412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.734412 (E_RNA) where: Base-Base interactions energy: -16.949 where: short stacking energy: -16.949 Base-Backbone interact. energy: -0.001 local terms energy: -24.784091 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -5.826 flat angles C4'-P-C4' energy: -6.058 flat angles P-C4'-P energy: -2.681 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: 3 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -39.141408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.141408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.141408 (E_RNA) where: Base-Base interactions energy: -17.661 where: short stacking energy: -17.661 Base-Backbone interact. energy: -0.000 local terms energy: -21.479953 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -4.770 flat angles P-C4'-P energy: -3.144 tors. eta vs tors. theta energy: -2.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -51.897893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.897893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.897893 (E_RNA) where: Base-Base interactions energy: -26.292 where: short stacking energy: -26.292 Base-Backbone interact. energy: -0.000 local terms energy: -25.605589 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -5.131 flat angles C4'-P-C4' energy: -5.494 flat angles P-C4'-P energy: -3.383 tors. eta vs tors. theta energy: -5.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -40.296333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.296333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.296333 (E_RNA) where: Base-Base interactions energy: -17.285 where: short stacking energy: -17.285 Base-Backbone interact. energy: -0.013 local terms energy: -22.998646 where: bonds (distance) C4'-P energy: -2.917 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.988 flat angles P-C4'-P energy: -4.861 tors. eta vs tors. theta energy: -3.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -45.755076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.755076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.755076 (E_RNA) where: Base-Base interactions energy: -21.043 where: short stacking energy: -21.043 Base-Backbone interact. energy: -0.000 local terms energy: -24.711339 where: bonds (distance) C4'-P energy: -3.759 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -5.725 flat angles P-C4'-P energy: -3.801 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: 4, replica: 9 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -41.709821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.709821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.709821 (E_RNA) where: Base-Base interactions energy: -15.784 where: short stacking energy: -15.784 Base-Backbone interact. energy: -0.041 local terms energy: -25.884631 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -6.111 flat angles P-C4'-P energy: -4.309 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: 5, replica: 10 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -43.664357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.664357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.664357 (E_RNA) where: Base-Base interactions energy: -22.126 where: short stacking energy: -22.126 Base-Backbone interact. energy: -0.000 local terms energy: -21.538378 where: bonds (distance) C4'-P energy: -3.066 bonds (distance) P-C4' energy: -4.659 flat angles C4'-P-C4' energy: -6.006 flat angles P-C4'-P energy: -2.624 tors. eta vs tors. theta energy: -5.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -35.903678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.903678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.903678 (E_RNA) where: Base-Base interactions energy: -16.576 where: short stacking energy: -16.576 Base-Backbone interact. energy: -0.010 local terms energy: -19.317128 where: bonds (distance) C4'-P energy: -4.807 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -5.205 flat angles P-C4'-P energy: 0.369 tors. eta vs tors. theta energy: -4.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -44.613645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.613645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.613645 (E_RNA) where: Base-Base interactions energy: -18.626 where: short stacking energy: -16.391 Base-Backbone interact. energy: -0.000 local terms energy: -25.987484 where: bonds (distance) C4'-P energy: -4.756 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.423 flat angles P-C4'-P energy: -4.877 tors. eta vs tors. theta energy: -5.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -34.944844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.944844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.944844 (E_RNA) where: Base-Base interactions energy: -10.716 where: short stacking energy: -10.716 Base-Backbone interact. energy: -0.000 local terms energy: -24.228503 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -4.527 flat angles P-C4'-P energy: -4.513 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: 9, replica: 8 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -33.847439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.847439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.847439 (E_RNA) where: Base-Base interactions energy: -13.775 where: short stacking energy: -13.775 Base-Backbone interact. energy: -0.010 local terms energy: -20.063069 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -6.276 flat angles P-C4'-P energy: -2.279 tors. eta vs tors. theta energy: -1.271 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: 3 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -31.865574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.865574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.865574 (E_RNA) where: Base-Base interactions energy: -14.333 where: short stacking energy: -12.988 Base-Backbone interact. energy: 0.105 local terms energy: -17.637987 where: bonds (distance) C4'-P energy: -4.913 bonds (distance) P-C4' energy: -4.815 flat angles C4'-P-C4' energy: -4.012 flat angles P-C4'-P energy: -3.685 tors. eta vs tors. theta energy: -0.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -55.947284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.947284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.947284 (E_RNA) where: Base-Base interactions energy: -26.269 where: short stacking energy: -26.269 Base-Backbone interact. energy: -0.000 local terms energy: -29.678744 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -6.570 flat angles P-C4'-P energy: -4.645 tors. eta vs tors. theta energy: -6.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -45.089279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.089279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.089279 (E_RNA) where: Base-Base interactions energy: -20.052 where: short stacking energy: -20.052 Base-Backbone interact. energy: -0.101 local terms energy: -24.935950 where: bonds (distance) C4'-P energy: -4.752 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.236 flat angles P-C4'-P energy: -3.709 tors. eta vs tors. theta energy: -6.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -46.912285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.912285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.912285 (E_RNA) where: Base-Base interactions energy: -25.570 where: short stacking energy: -16.012 Base-Backbone interact. energy: -0.546 local terms energy: -20.795816 where: bonds (distance) C4'-P energy: -5.953 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -3.815 flat angles P-C4'-P energy: -3.422 tors. eta vs tors. theta energy: -1.414 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: 432 Temperature: 1.050000 Total energy: -48.696279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.696279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.696279 (E_RNA) where: Base-Base interactions energy: -21.759 where: short stacking energy: -21.759 Base-Backbone interact. energy: -0.000 local terms energy: -26.937258 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.905 flat angles P-C4'-P energy: -3.856 tors. eta vs tors. theta energy: -5.085 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: 7 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -36.383419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.383419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.383419 (E_RNA) where: Base-Base interactions energy: -15.548 where: short stacking energy: -15.548 Base-Backbone interact. energy: -0.101 local terms energy: -20.734430 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -5.229 flat angles P-C4'-P energy: -2.943 tors. eta vs tors. theta energy: -2.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -39.674900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.674900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.674900 (E_RNA) where: Base-Base interactions energy: -17.630 where: short stacking energy: -17.630 Base-Backbone interact. energy: -0.003 local terms energy: -22.042380 where: bonds (distance) C4'-P energy: -4.206 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -4.942 flat angles P-C4'-P energy: -2.159 tors. eta vs tors. theta energy: -4.322 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: 2 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -33.545138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.545138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.545138 (E_RNA) where: Base-Base interactions energy: -10.983 where: short stacking energy: -10.983 Base-Backbone interact. energy: -0.000 local terms energy: -22.561530 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -5.080 flat angles C4'-P-C4' energy: -5.921 flat angles P-C4'-P energy: -5.156 tors. eta vs tors. theta energy: -0.461 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: 5 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -38.663488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.663488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.663488 (E_RNA) where: Base-Base interactions energy: -15.954 where: short stacking energy: -16.054 Base-Backbone interact. energy: -0.002 local terms energy: -22.707942 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.251 flat angles P-C4'-P energy: -4.693 tors. eta vs tors. theta energy: -1.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -33.822406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.822406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.822406 (E_RNA) where: Base-Base interactions energy: -17.097 where: short stacking energy: -10.869 Base-Backbone interact. energy: 1.076 local terms energy: -17.801804 where: bonds (distance) C4'-P energy: -3.353 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -3.780 flat angles P-C4'-P energy: -3.888 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: 10, replica: 3 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -37.914043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.914043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.914043 (E_RNA) where: Base-Base interactions energy: -25.137 where: short stacking energy: -12.213 Base-Backbone interact. energy: -0.008 local terms energy: -12.769588 where: bonds (distance) C4'-P energy: -1.871 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.823 flat angles P-C4'-P energy: -0.312 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: 1, replica: 4 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -49.773810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.773810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.773810 (E_RNA) where: Base-Base interactions energy: -22.232 where: short stacking energy: -22.232 Base-Backbone interact. energy: -0.000 local terms energy: -27.541801 where: bonds (distance) C4'-P energy: -5.163 bonds (distance) P-C4' energy: -6.124 flat angles C4'-P-C4' energy: -3.970 flat angles P-C4'-P energy: -5.363 tors. eta vs tors. theta energy: -6.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -45.099653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.099653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.099653 (E_RNA) where: Base-Base interactions energy: -18.066 where: short stacking energy: -18.066 Base-Backbone interact. energy: 0.206 local terms energy: -27.239191 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.672 flat angles P-C4'-P energy: -5.423 tors. eta vs tors. theta energy: -4.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -50.743049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.743049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.743049 (E_RNA) where: Base-Base interactions energy: -29.616 where: short stacking energy: -17.524 Base-Backbone interact. energy: -0.001 local terms energy: -21.126069 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -2.816 flat angles P-C4'-P energy: -3.511 tors. eta vs tors. theta energy: -3.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -47.629423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.629423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.629423 (E_RNA) where: Base-Base interactions energy: -25.114 where: short stacking energy: -16.376 Base-Backbone interact. energy: -0.006 local terms energy: -22.509510 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -3.212 flat angles P-C4'-P energy: -3.510 tors. eta vs tors. theta energy: -3.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -42.003632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.003632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.003632 (E_RNA) where: Base-Base interactions energy: -18.142 where: short stacking energy: -18.142 Base-Backbone interact. energy: -0.007 local terms energy: -23.854547 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.796 flat angles P-C4'-P energy: -2.196 tors. eta vs tors. theta energy: -3.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -39.125159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.125159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.125159 (E_RNA) where: Base-Base interactions energy: -20.074 where: short stacking energy: -14.902 Base-Backbone interact. energy: -0.080 local terms energy: -18.971643 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.127 flat angles P-C4'-P energy: -1.033 tors. eta vs tors. theta energy: -1.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -34.223445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.223445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.223445 (E_RNA) where: Base-Base interactions energy: -11.104 where: short stacking energy: -11.104 Base-Backbone interact. energy: -0.000 local terms energy: -23.119304 where: bonds (distance) C4'-P energy: -3.734 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -6.608 flat angles P-C4'-P energy: -3.333 tors. eta vs tors. theta energy: -3.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -34.388238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.388238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.388238 (E_RNA) where: Base-Base interactions energy: -13.287 where: short stacking energy: -13.287 Base-Backbone interact. energy: -0.000 local terms energy: -21.101460 where: bonds (distance) C4'-P energy: -2.764 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -6.186 flat angles P-C4'-P energy: -3.149 tors. eta vs tors. theta energy: -1.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -36.526226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.526226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.526226 (E_RNA) where: Base-Base interactions energy: -14.505 where: short stacking energy: -14.505 Base-Backbone interact. energy: -0.000 local terms energy: -22.020810 where: bonds (distance) C4'-P energy: -4.756 bonds (distance) P-C4' energy: -4.582 flat angles C4'-P-C4' energy: -4.141 flat angles P-C4'-P energy: -4.800 tors. eta vs tors. theta energy: -3.742 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: 10, replica: 3 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -28.712286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.712286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.712286 (E_RNA) where: Base-Base interactions energy: -9.356 where: short stacking energy: -9.356 Base-Backbone interact. energy: -0.000 local terms energy: -19.356038 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -5.924 flat angles P-C4'-P energy: 2.044 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: 1 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -50.146754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.146754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.146754 (E_RNA) where: Base-Base interactions energy: -21.675 where: short stacking energy: -21.675 Base-Backbone interact. energy: -0.000 local terms energy: -28.472017 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -6.190 flat angles P-C4'-P energy: -4.140 tors. eta vs tors. theta energy: -5.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -46.911272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.911272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.911272 (E_RNA) where: Base-Base interactions energy: -22.418 where: short stacking energy: -22.418 Base-Backbone interact. energy: -0.000 local terms energy: -24.492912 where: bonds (distance) C4'-P energy: -5.431 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -3.525 flat angles P-C4'-P energy: -2.200 tors. eta vs tors. theta energy: -6.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -40.431992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.431992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.431992 (E_RNA) where: Base-Base interactions energy: -19.267 where: short stacking energy: -19.267 Base-Backbone interact. energy: -0.000 local terms energy: -21.164957 where: bonds (distance) C4'-P energy: -3.936 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -4.525 flat angles P-C4'-P energy: -2.537 tors. eta vs tors. theta energy: -4.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -40.444969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.444969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.444969 (E_RNA) where: Base-Base interactions energy: -16.472 where: short stacking energy: -16.472 Base-Backbone interact. energy: -0.112 local terms energy: -23.861091 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.762 flat angles P-C4'-P energy: -3.649 tors. eta vs tors. theta energy: -1.107 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: 5, replica: 10 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -43.108870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.108870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.108870 (E_RNA) where: Base-Base interactions energy: -16.619 where: short stacking energy: -16.619 Base-Backbone interact. energy: -0.001 local terms energy: -26.489126 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -4.608 flat angles P-C4'-P energy: -4.172 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: 6, replica: 6 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -34.212430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.212430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.212430 (E_RNA) where: Base-Base interactions energy: -14.756 where: short stacking energy: -8.745 Base-Backbone interact. energy: -0.081 local terms energy: -19.375930 where: bonds (distance) C4'-P energy: -4.177 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.904 flat angles P-C4'-P energy: -2.735 tors. eta vs tors. theta energy: 0.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -44.775475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.775475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.775475 (E_RNA) where: Base-Base interactions energy: -19.233 where: short stacking energy: -19.233 Base-Backbone interact. energy: -0.000 local terms energy: -25.542678 where: bonds (distance) C4'-P energy: -5.244 bonds (distance) P-C4' energy: -4.702 flat angles C4'-P-C4' energy: -5.240 flat angles P-C4'-P energy: -2.945 tors. eta vs tors. theta energy: -7.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -36.209137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.209137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.209137 (E_RNA) where: Base-Base interactions energy: -12.074 where: short stacking energy: -12.074 Base-Backbone interact. energy: -0.075 local terms energy: -24.059847 where: bonds (distance) C4'-P energy: -5.133 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -5.495 flat angles P-C4'-P energy: -4.221 tors. eta vs tors. theta energy: -3.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -34.418212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.418212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.418212 (E_RNA) where: Base-Base interactions energy: -14.831 where: short stacking energy: -14.831 Base-Backbone interact. energy: -0.000 local terms energy: -19.586638 where: bonds (distance) C4'-P energy: -4.540 bonds (distance) P-C4' energy: -5.466 flat angles C4'-P-C4' energy: -5.112 flat angles P-C4'-P energy: -0.740 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: 10, replica: 5 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -37.105556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.105556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.105556 (E_RNA) where: Base-Base interactions energy: -14.422 where: short stacking energy: -14.422 Base-Backbone interact. energy: -0.000 local terms energy: -22.683448 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.501 flat angles P-C4'-P energy: -1.212 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: 1, replica: 1 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -49.063647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.063647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.063647 (E_RNA) where: Base-Base interactions energy: -21.703 where: short stacking energy: -21.703 Base-Backbone interact. energy: -0.000 local terms energy: -27.360356 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -5.469 flat angles C4'-P-C4' energy: -5.714 flat angles P-C4'-P energy: -2.876 tors. eta vs tors. theta energy: -7.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -50.810321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.810321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.810321 (E_RNA) where: Base-Base interactions energy: -21.834 where: short stacking energy: -21.834 Base-Backbone interact. energy: -0.000 local terms energy: -28.976030 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -6.080 flat angles P-C4'-P energy: -4.643 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: 3, replica: 9 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -41.088521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.088521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.088521 (E_RNA) where: Base-Base interactions energy: -18.799 where: short stacking energy: -18.799 Base-Backbone interact. energy: -0.443 local terms energy: -21.847232 where: bonds (distance) C4'-P energy: -4.223 bonds (distance) P-C4' energy: -5.886 flat angles C4'-P-C4' energy: -4.635 flat angles P-C4'-P energy: -4.437 tors. eta vs tors. theta energy: -2.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -41.118556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.118556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.118556 (E_RNA) where: Base-Base interactions energy: -17.068 where: short stacking energy: -17.068 Base-Backbone interact. energy: -0.069 local terms energy: -23.981057 where: bonds (distance) C4'-P energy: -4.731 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.188 flat angles P-C4'-P energy: -3.663 tors. eta vs tors. theta energy: -3.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -41.203351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.203351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.203351 (E_RNA) where: Base-Base interactions energy: -23.757 where: short stacking energy: -6.767 Base-Backbone interact. energy: -0.206 local terms energy: -17.240468 where: bonds (distance) C4'-P energy: -4.570 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.074 flat angles P-C4'-P energy: -3.872 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: 6, replica: 8 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -39.892315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.892315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.892315 (E_RNA) where: Base-Base interactions energy: -17.417 where: short stacking energy: -17.417 Base-Backbone interact. energy: -0.000 local terms energy: -22.475443 where: bonds (distance) C4'-P energy: -4.011 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.922 flat angles P-C4'-P energy: -1.894 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: 7, replica: 6 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -34.476832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.476832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.476832 (E_RNA) where: Base-Base interactions energy: -13.830 where: short stacking energy: -3.421 Base-Backbone interact. energy: -0.069 local terms energy: -20.578123 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -3.048 flat angles P-C4'-P energy: -3.130 tors. eta vs tors. theta energy: -2.895 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: 3 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -32.211957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.211957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.211957 (E_RNA) where: Base-Base interactions energy: -8.847 where: short stacking energy: -8.847 Base-Backbone interact. energy: -0.002 local terms energy: -23.362972 where: bonds (distance) C4'-P energy: -3.936 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.141 flat angles P-C4'-P energy: -2.644 tors. eta vs tors. theta energy: -3.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -35.612886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.612886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.612886 (E_RNA) where: Base-Base interactions energy: -14.093 where: short stacking energy: -14.093 Base-Backbone interact. energy: -0.000 local terms energy: -21.519984 where: bonds (distance) C4'-P energy: -4.665 bonds (distance) P-C4' energy: -5.368 flat angles C4'-P-C4' energy: -4.820 flat angles P-C4'-P energy: -2.396 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: 5 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -31.414893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.414893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.414893 (E_RNA) where: Base-Base interactions energy: -13.001 where: short stacking energy: -13.001 Base-Backbone interact. energy: -0.008 local terms energy: -18.405825 where: bonds (distance) C4'-P energy: -2.385 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -4.550 flat angles P-C4'-P energy: -3.966 tors. eta vs tors. theta energy: -1.048 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: 1 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -54.506853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.506853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.506853 (E_RNA) where: Base-Base interactions energy: -23.832 where: short stacking energy: -23.832 Base-Backbone interact. energy: -0.000 local terms energy: -30.674822 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.623 flat angles P-C4'-P energy: -5.196 tors. eta vs tors. theta energy: -6.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -47.274278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.274278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.274278 (E_RNA) where: Base-Base interactions energy: -19.008 where: short stacking energy: -19.008 Base-Backbone interact. energy: -0.097 local terms energy: -28.169639 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -6.455 flat angles P-C4'-P energy: -4.858 tors. eta vs tors. theta energy: -4.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -44.290109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.290109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.290109 (E_RNA) where: Base-Base interactions energy: -24.616 where: short stacking energy: -14.898 Base-Backbone interact. energy: -0.000 local terms energy: -19.673371 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -2.087 flat angles P-C4'-P energy: -1.482 tors. eta vs tors. theta energy: -4.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -36.224422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.224422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.224422 (E_RNA) where: Base-Base interactions energy: -15.837 where: short stacking energy: -15.837 Base-Backbone interact. energy: -0.000 local terms energy: -20.386969 where: bonds (distance) C4'-P energy: -3.654 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -5.268 flat angles P-C4'-P energy: -3.442 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: 5, replica: 8 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -38.867775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.867775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.867775 (E_RNA) where: Base-Base interactions energy: -17.425 where: short stacking energy: -17.425 Base-Backbone interact. energy: -0.000 local terms energy: -21.442859 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -1.895 flat angles P-C4'-P energy: -5.343 tors. eta vs tors. theta energy: -2.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -33.957740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.957740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.957740 (E_RNA) where: Base-Base interactions energy: -17.299 where: short stacking energy: -4.770 Base-Backbone interact. energy: -0.073 local terms energy: -16.585856 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -3.994 flat angles P-C4'-P energy: -2.288 tors. eta vs tors. theta energy: 2.212 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: 3 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -28.959863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.959863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.959863 (E_RNA) where: Base-Base interactions energy: -8.203 where: short stacking energy: -8.203 Base-Backbone interact. energy: -0.047 local terms energy: -20.709382 where: bonds (distance) C4'-P energy: -4.631 bonds (distance) P-C4' energy: -5.826 flat angles C4'-P-C4' energy: -4.848 flat angles P-C4'-P energy: -5.039 tors. eta vs tors. theta energy: -0.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -38.570181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.570181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.570181 (E_RNA) where: Base-Base interactions energy: -15.519 where: short stacking energy: -15.519 Base-Backbone interact. energy: -0.000 local terms energy: -23.051516 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -2.968 flat angles P-C4'-P energy: -4.701 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: 9, replica: 5 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -30.752726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.752726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.752726 (E_RNA) where: Base-Base interactions energy: -16.961 where: short stacking energy: -13.010 Base-Backbone interact. energy: -0.018 local terms energy: -13.772913 where: bonds (distance) C4'-P energy: -5.117 bonds (distance) P-C4' energy: -4.110 flat angles C4'-P-C4' energy: -2.085 flat angles P-C4'-P energy: -2.791 tors. eta vs tors. theta energy: 0.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -32.588337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.588337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.588337 (E_RNA) where: Base-Base interactions energy: -11.763 where: short stacking energy: -11.763 Base-Backbone interact. energy: -0.000 local terms energy: -20.824767 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -3.512 flat angles P-C4'-P energy: -4.333 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: 1 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -51.643584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.643584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.643584 (E_RNA) where: Base-Base interactions energy: -25.209 where: short stacking energy: -25.209 Base-Backbone interact. energy: -0.000 local terms energy: -26.434941 where: bonds (distance) C4'-P energy: -4.143 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.887 flat angles P-C4'-P energy: -4.265 tors. eta vs tors. theta energy: -6.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -39.954414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.954414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.954414 (E_RNA) where: Base-Base interactions energy: -15.069 where: short stacking energy: -15.069 Base-Backbone interact. energy: -0.000 local terms energy: -24.885175 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.444 flat angles P-C4'-P energy: -4.508 tors. eta vs tors. theta energy: -2.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -47.927836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.927836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.927836 (E_RNA) where: Base-Base interactions energy: -22.640 where: short stacking energy: -20.041 Base-Backbone interact. energy: -0.000 local terms energy: -25.287861 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -5.604 flat angles C4'-P-C4' energy: -5.354 flat angles P-C4'-P energy: -4.059 tors. eta vs tors. theta energy: -5.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -38.566361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.566361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.566361 (E_RNA) where: Base-Base interactions energy: -16.853 where: short stacking energy: -9.518 Base-Backbone interact. energy: -0.519 local terms energy: -21.193404 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.050 flat angles P-C4'-P energy: -3.875 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: 5, replica: 9 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -40.183787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.183787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.183787 (E_RNA) where: Base-Base interactions energy: -17.824 where: short stacking energy: -17.824 Base-Backbone interact. energy: -0.008 local terms energy: -22.351600 where: bonds (distance) C4'-P energy: -4.099 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -6.086 flat angles P-C4'-P energy: -2.668 tors. eta vs tors. theta energy: -3.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -32.559936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.559936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.559936 (E_RNA) where: Base-Base interactions energy: -11.052 where: short stacking energy: -9.907 Base-Backbone interact. energy: -0.072 local terms energy: -21.435343 where: bonds (distance) C4'-P energy: -1.238 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.132 flat angles P-C4'-P energy: -4.235 tors. eta vs tors. theta energy: -2.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -44.311397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.311397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.311397 (E_RNA) where: Base-Base interactions energy: -20.308 where: short stacking energy: -20.308 Base-Backbone interact. energy: -0.000 local terms energy: -24.003333 where: bonds (distance) C4'-P energy: -3.990 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.531 flat angles P-C4'-P energy: -4.395 tors. eta vs tors. theta energy: -4.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -36.927352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.927352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.927352 (E_RNA) where: Base-Base interactions energy: -15.711 where: short stacking energy: -15.711 Base-Backbone interact. energy: -0.000 local terms energy: -21.216630 where: bonds (distance) C4'-P energy: -3.333 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -3.637 flat angles P-C4'-P energy: -3.949 tors. eta vs tors. theta energy: -4.145 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: 5 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -40.244122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.244122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.244122 (E_RNA) where: Base-Base interactions energy: -22.778 where: short stacking energy: -13.682 Base-Backbone interact. energy: -0.124 local terms energy: -17.341980 where: bonds (distance) C4'-P energy: -5.096 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.161 flat angles P-C4'-P energy: -1.317 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: 10, replica: 2 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -29.528880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.528880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.528880 (E_RNA) where: Base-Base interactions energy: -11.776 where: short stacking energy: -11.776 Base-Backbone interact. energy: -0.003 local terms energy: -17.749556 where: bonds (distance) C4'-P energy: -3.990 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -5.593 flat angles P-C4'-P energy: -3.566 tors. eta vs tors. theta energy: 0.052 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: 1, replica: 10 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -49.215601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.215601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.215601 (E_RNA) where: Base-Base interactions energy: -22.664 where: short stacking energy: -22.664 Base-Backbone interact. energy: -0.006 local terms energy: -26.546012 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -5.613 flat angles C4'-P-C4' energy: -4.029 flat angles P-C4'-P energy: -5.381 tors. eta vs tors. theta energy: -5.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -44.266097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.266097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.266097 (E_RNA) where: Base-Base interactions energy: -19.012 where: short stacking energy: -19.012 Base-Backbone interact. energy: -0.054 local terms energy: -25.199822 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -3.075 flat angles P-C4'-P energy: -5.265 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: 3, replica: 8 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -44.973305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.973305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.973305 (E_RNA) where: Base-Base interactions energy: -17.706 where: short stacking energy: -17.706 Base-Backbone interact. energy: -0.070 local terms energy: -27.196697 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.507 flat angles P-C4'-P energy: -5.428 tors. eta vs tors. theta energy: -3.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -43.617241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.617241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.617241 (E_RNA) where: Base-Base interactions energy: -22.626 where: short stacking energy: -22.626 Base-Backbone interact. energy: -0.000 local terms energy: -20.991414 where: bonds (distance) C4'-P energy: -2.856 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.636 flat angles P-C4'-P energy: -1.523 tors. eta vs tors. theta energy: -5.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -39.209019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.209019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.209019 (E_RNA) where: Base-Base interactions energy: -13.077 where: short stacking energy: -13.077 Base-Backbone interact. energy: -0.033 local terms energy: -26.098818 where: bonds (distance) C4'-P energy: -6.023 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.013 flat angles P-C4'-P energy: -5.201 tors. eta vs tors. theta energy: -2.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -37.610380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.610380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.610380 (E_RNA) where: Base-Base interactions energy: -14.272 where: short stacking energy: -14.272 Base-Backbone interact. energy: -0.101 local terms energy: -23.236631 where: bonds (distance) C4'-P energy: -3.216 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.319 flat angles P-C4'-P energy: -3.822 tors. eta vs tors. theta energy: -5.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -43.957878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.957878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.957878 (E_RNA) where: Base-Base interactions energy: -20.235 where: short stacking energy: -20.235 Base-Backbone interact. energy: -0.003 local terms energy: -23.720199 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.482 flat angles P-C4'-P energy: -2.318 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: 8, replica: 7 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -40.914550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.914550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.914550 (E_RNA) where: Base-Base interactions energy: -19.414 where: short stacking energy: -7.656 Base-Backbone interact. energy: -0.008 local terms energy: -21.492363 where: bonds (distance) C4'-P energy: -4.748 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.235 flat angles P-C4'-P energy: -3.890 tors. eta vs tors. theta energy: -0.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -29.605770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.605770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.605770 (E_RNA) where: Base-Base interactions energy: -10.663 where: short stacking energy: -6.646 Base-Backbone interact. energy: -0.681 local terms energy: -18.261815 where: bonds (distance) C4'-P energy: -5.543 bonds (distance) P-C4' energy: -5.150 flat angles C4'-P-C4' energy: -4.598 flat angles P-C4'-P energy: -3.461 tors. eta vs tors. theta energy: 0.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -33.478477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.478477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.478477 (E_RNA) where: Base-Base interactions energy: -12.981 where: short stacking energy: -12.981 Base-Backbone interact. energy: -0.000 local terms energy: -20.496741 where: bonds (distance) C4'-P energy: -4.367 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -3.882 flat angles P-C4'-P energy: -3.091 tors. eta vs tors. theta energy: -2.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -48.380273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.380273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.380273 (E_RNA) where: Base-Base interactions energy: -22.994 where: short stacking energy: -22.994 Base-Backbone interact. energy: -0.000 local terms energy: -25.386622 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -4.442 flat angles C4'-P-C4' energy: -5.342 flat angles P-C4'-P energy: -4.792 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: 2, replica: 8 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -45.446003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.446003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.446003 (E_RNA) where: Base-Base interactions energy: -21.319 where: short stacking energy: -21.319 Base-Backbone interact. energy: -0.013 local terms energy: -24.113949 where: bonds (distance) C4'-P energy: -3.555 bonds (distance) P-C4' energy: -5.582 flat angles C4'-P-C4' energy: -6.607 flat angles P-C4'-P energy: -5.118 tors. eta vs tors. theta energy: -3.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -49.798376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.798376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.798376 (E_RNA) where: Base-Base interactions energy: -21.547 where: short stacking energy: -20.701 Base-Backbone interact. energy: -0.000 local terms energy: -28.251509 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -5.699 flat angles C4'-P-C4' energy: -6.152 flat angles P-C4'-P energy: -4.809 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: 4, replica: 4 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -40.512852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.512852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.512852 (E_RNA) where: Base-Base interactions energy: -17.838 where: short stacking energy: -17.342 Base-Backbone interact. energy: -0.088 local terms energy: -22.586823 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.853 flat angles P-C4'-P energy: -4.421 tors. eta vs tors. theta energy: 0.444 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: 3 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -42.829417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.829417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.829417 (E_RNA) where: Base-Base interactions energy: -19.960 where: short stacking energy: -19.960 Base-Backbone interact. energy: -0.153 local terms energy: -22.716915 where: bonds (distance) C4'-P energy: -5.252 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -6.023 flat angles P-C4'-P energy: -2.758 tors. eta vs tors. theta energy: -2.469 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: 6 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -35.260569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.260569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.260569 (E_RNA) where: Base-Base interactions energy: -13.574 where: short stacking energy: -6.396 Base-Backbone interact. energy: -0.044 local terms energy: -21.642068 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -4.829 flat angles P-C4'-P energy: -3.058 tors. eta vs tors. theta energy: -0.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -38.801472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.801472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.801472 (E_RNA) where: Base-Base interactions energy: -15.865 where: short stacking energy: -15.865 Base-Backbone interact. energy: -0.046 local terms energy: -22.889977 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -4.677 flat angles C4'-P-C4' energy: -4.017 flat angles P-C4'-P energy: -4.134 tors. eta vs tors. theta energy: -4.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -42.060709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.060709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.060709 (E_RNA) where: Base-Base interactions energy: -21.452 where: short stacking energy: -12.742 Base-Backbone interact. energy: 1.933 local terms energy: -22.541708 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -6.162 flat angles P-C4'-P energy: -2.117 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: 9, replica: 7 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -38.486863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.486863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.486863 (E_RNA) where: Base-Base interactions energy: -13.168 where: short stacking energy: -11.354 Base-Backbone interact. energy: -0.000 local terms energy: -25.319052 where: bonds (distance) C4'-P energy: -4.148 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -6.131 flat angles P-C4'-P energy: -4.238 tors. eta vs tors. theta energy: -4.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -34.430508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.430508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.430508 (E_RNA) where: Base-Base interactions energy: -16.231 where: short stacking energy: -11.335 Base-Backbone interact. energy: -0.000 local terms energy: -18.199351 where: bonds (distance) C4'-P energy: -4.541 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -4.200 flat angles P-C4'-P energy: -1.927 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: 1, replica: 8 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -45.881438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.881438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.881438 (E_RNA) where: Base-Base interactions energy: -21.919 where: short stacking energy: -21.919 Base-Backbone interact. energy: -0.003 local terms energy: -23.959232 where: bonds (distance) C4'-P energy: -3.771 bonds (distance) P-C4' energy: -7.147 flat angles C4'-P-C4' energy: -6.215 flat angles P-C4'-P energy: -2.956 tors. eta vs tors. theta energy: -3.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -44.861770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.861770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.861770 (E_RNA) where: Base-Base interactions energy: -19.598 where: short stacking energy: -18.268 Base-Backbone interact. energy: -0.022 local terms energy: -25.241455 where: bonds (distance) C4'-P energy: -4.727 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -6.382 flat angles P-C4'-P energy: -2.487 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: 3, replica: 1 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -45.677726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.677726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.677726 (E_RNA) where: Base-Base interactions energy: -21.199 where: short stacking energy: -21.199 Base-Backbone interact. energy: -0.010 local terms energy: -24.469366 where: bonds (distance) C4'-P energy: -4.102 bonds (distance) P-C4' energy: -5.177 flat angles C4'-P-C4' energy: -5.869 flat angles P-C4'-P energy: -5.330 tors. eta vs tors. theta energy: -3.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -31.258013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.258013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.258013 (E_RNA) where: Base-Base interactions energy: -14.485 where: short stacking energy: -10.812 Base-Backbone interact. energy: -0.041 local terms energy: -16.732206 where: bonds (distance) C4'-P energy: -1.490 bonds (distance) P-C4' energy: -6.358 flat angles C4'-P-C4' energy: -5.185 flat angles P-C4'-P energy: -3.308 tors. eta vs tors. theta energy: -0.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -41.479717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.479717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.479717 (E_RNA) where: Base-Base interactions energy: -20.494 where: short stacking energy: -12.015 Base-Backbone interact. energy: -0.092 local terms energy: -20.893642 where: bonds (distance) C4'-P energy: -4.665 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.030 flat angles P-C4'-P energy: -1.114 tors. eta vs tors. theta energy: -2.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -37.030790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.030790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.030790 (E_RNA) where: Base-Base interactions energy: -12.806 where: short stacking energy: -12.806 Base-Backbone interact. energy: -0.005 local terms energy: -24.220238 where: bonds (distance) C4'-P energy: -5.169 bonds (distance) P-C4' energy: -4.643 flat angles C4'-P-C4' energy: -5.066 flat angles P-C4'-P energy: -4.524 tors. eta vs tors. theta energy: -4.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -40.635759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.635759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.635759 (E_RNA) where: Base-Base interactions energy: -18.450 where: short stacking energy: -18.450 Base-Backbone interact. energy: -0.000 local terms energy: -22.186080 where: bonds (distance) C4'-P energy: -1.792 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.615 flat angles P-C4'-P energy: -2.906 tors. eta vs tors. theta energy: -5.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -35.879622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.879622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.879622 (E_RNA) where: Base-Base interactions energy: -12.935 where: short stacking energy: -12.935 Base-Backbone interact. energy: -0.098 local terms energy: -22.846494 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.126 flat angles P-C4'-P energy: -4.700 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: 7 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -35.646033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.646033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.646033 (E_RNA) where: Base-Base interactions energy: -13.357 where: short stacking energy: -13.357 Base-Backbone interact. energy: -0.002 local terms energy: -22.287045 where: bonds (distance) C4'-P energy: -4.230 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -6.274 flat angles P-C4'-P energy: -3.773 tors. eta vs tors. theta energy: -1.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -38.006343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.006343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.006343 (E_RNA) where: Base-Base interactions energy: -12.939 where: short stacking energy: -12.939 Base-Backbone interact. energy: -0.029 local terms energy: -25.038429 where: bonds (distance) C4'-P energy: -4.993 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -6.386 flat angles P-C4'-P energy: -4.081 tors. eta vs tors. theta energy: -3.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -48.149340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.149340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.149340 (E_RNA) where: Base-Base interactions energy: -21.036 where: short stacking energy: -21.036 Base-Backbone interact. energy: -0.000 local terms energy: -27.113158 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.029 flat angles P-C4'-P energy: -3.042 tors. eta vs tors. theta energy: -5.347 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: 1 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -54.637009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.637009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.637009 (E_RNA) where: Base-Base interactions energy: -29.135 where: short stacking energy: -18.502 Base-Backbone interact. energy: -0.037 local terms energy: -25.464918 where: bonds (distance) C4'-P energy: -4.703 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.694 flat angles P-C4'-P energy: -5.099 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: 3, replica: 10 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -47.629969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.629969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.629969 (E_RNA) where: Base-Base interactions energy: -19.926 where: short stacking energy: -18.937 Base-Backbone interact. energy: -0.045 local terms energy: -27.659003 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.960 flat angles P-C4'-P energy: -3.250 tors. eta vs tors. theta energy: -5.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -44.280328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.280328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.280328 (E_RNA) where: Base-Base interactions energy: -19.530 where: short stacking energy: -19.530 Base-Backbone interact. energy: -0.000 local terms energy: -24.750558 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.952 flat angles P-C4'-P energy: -4.195 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: 5, replica: 4 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -36.893725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.893725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.893725 (E_RNA) where: Base-Base interactions energy: -17.890 where: short stacking energy: -17.890 Base-Backbone interact. energy: -0.002 local terms energy: -19.001982 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -5.279 flat angles C4'-P-C4' energy: -4.469 flat angles P-C4'-P energy: -2.039 tors. eta vs tors. theta energy: -1.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -45.682889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.682889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.682889 (E_RNA) where: Base-Base interactions energy: -22.730 where: short stacking energy: -16.166 Base-Backbone interact. energy: -0.070 local terms energy: -22.882410 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.248 flat angles P-C4'-P energy: -2.056 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: 7, replica: 3 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -33.610483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.610483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.610483 (E_RNA) where: Base-Base interactions energy: -17.160 where: short stacking energy: -17.160 Base-Backbone interact. energy: -0.097 local terms energy: -16.353958 where: bonds (distance) C4'-P energy: -3.944 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -2.323 flat angles P-C4'-P energy: -1.803 tors. eta vs tors. theta energy: -1.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -39.459994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.459994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.459994 (E_RNA) where: Base-Base interactions energy: -16.849 where: short stacking energy: -16.849 Base-Backbone interact. energy: -0.000 local terms energy: -22.610655 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -4.825 flat angles C4'-P-C4' energy: -5.847 flat angles P-C4'-P energy: -2.373 tors. eta vs tors. theta energy: -3.637 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: 441 Temperature: 1.300000 Total energy: -36.116416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.116416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.116416 (E_RNA) where: Base-Base interactions energy: -16.266 where: short stacking energy: -16.266 Base-Backbone interact. energy: -0.000 local terms energy: -19.849815 where: bonds (distance) C4'-P energy: -4.221 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -3.503 flat angles P-C4'-P energy: -1.927 tors. eta vs tors. theta energy: -3.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -31.743378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.743378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.743378 (E_RNA) where: Base-Base interactions energy: -13.129 where: short stacking energy: -12.260 Base-Backbone interact. energy: -0.084 local terms energy: -18.529940 where: bonds (distance) C4'-P energy: -4.496 bonds (distance) P-C4' energy: -3.628 flat angles C4'-P-C4' energy: -5.532 flat angles P-C4'-P energy: -4.473 tors. eta vs tors. theta energy: -0.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -51.487971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.487971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.487971 (E_RNA) where: Base-Base interactions energy: -29.149 where: short stacking energy: -14.589 Base-Backbone interact. energy: -0.000 local terms energy: -22.339269 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.876 flat angles P-C4'-P energy: 0.441 tors. eta vs tors. theta energy: -4.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -46.495388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.495388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.495388 (E_RNA) where: Base-Base interactions energy: -21.016 where: short stacking energy: -21.016 Base-Backbone interact. energy: -0.000 local terms energy: -25.479551 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -6.159 flat angles C4'-P-C4' energy: -5.485 flat angles P-C4'-P energy: -3.908 tors. eta vs tors. theta energy: -4.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -49.237124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.237124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.237124 (E_RNA) where: Base-Base interactions energy: -22.792 where: short stacking energy: -22.792 Base-Backbone interact. energy: -0.053 local terms energy: -26.392224 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.496 flat angles P-C4'-P energy: -4.001 tors. eta vs tors. theta energy: -5.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -44.184581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.184581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.184581 (E_RNA) where: Base-Base interactions energy: -19.220 where: short stacking energy: -19.220 Base-Backbone interact. energy: -0.000 local terms energy: -24.964741 where: bonds (distance) C4'-P energy: -4.532 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.228 flat angles P-C4'-P energy: -3.643 tors. eta vs tors. theta energy: -6.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -42.596334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.596334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.596334 (E_RNA) where: Base-Base interactions energy: -18.713 where: short stacking energy: -18.713 Base-Backbone interact. energy: -0.000 local terms energy: -23.882942 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -4.578 flat angles P-C4'-P energy: -2.981 tors. eta vs tors. theta energy: -6.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -37.158943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.158943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.158943 (E_RNA) where: Base-Base interactions energy: -15.498 where: short stacking energy: -15.498 Base-Backbone interact. energy: -0.085 local terms energy: -21.576643 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -6.431 flat angles P-C4'-P energy: -0.637 tors. eta vs tors. theta energy: -2.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -40.699225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.699225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.699225 (E_RNA) where: Base-Base interactions energy: -16.348 where: short stacking energy: -16.348 Base-Backbone interact. energy: -0.000 local terms energy: -24.351203 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -2.582 flat angles P-C4'-P energy: -3.231 tors. eta vs tors. theta energy: -5.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -36.614611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.614611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.614611 (E_RNA) where: Base-Base interactions energy: -15.499 where: short stacking energy: -15.499 Base-Backbone interact. energy: -0.000 local terms energy: -21.115351 where: bonds (distance) C4'-P energy: -5.096 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -3.224 flat angles P-C4'-P energy: -4.579 tors. eta vs tors. theta energy: -2.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -41.903651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.903651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.903651 (E_RNA) where: Base-Base interactions energy: -18.157 where: short stacking energy: -18.157 Base-Backbone interact. energy: -0.000 local terms energy: -23.746154 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -5.368 flat angles C4'-P-C4' energy: -5.472 flat angles P-C4'-P energy: -3.290 tors. eta vs tors. theta energy: -4.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -33.509974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.509974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.509974 (E_RNA) where: Base-Base interactions energy: -16.446 where: short stacking energy: -11.281 Base-Backbone interact. energy: -0.002 local terms energy: -17.061960 where: bonds (distance) C4'-P energy: -2.712 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -0.729 flat angles P-C4'-P energy: -4.296 tors. eta vs tors. theta energy: -2.428 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: 1, replica: 1 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -49.181894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.181894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.181894 (E_RNA) where: Base-Base interactions energy: -26.368 where: short stacking energy: -10.604 Base-Backbone interact. energy: -0.393 local terms energy: -22.421161 where: bonds (distance) C4'-P energy: -5.510 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.147 flat angles P-C4'-P energy: -4.036 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: 2, replica: 6 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -45.691803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.691803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.691803 (E_RNA) where: Base-Base interactions energy: -23.218 where: short stacking energy: -18.198 Base-Backbone interact. energy: -0.090 local terms energy: -22.383854 where: bonds (distance) C4'-P energy: -4.859 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -4.742 flat angles P-C4'-P energy: -2.864 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: 3, replica: 8 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -40.497468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.497468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.497468 (E_RNA) where: Base-Base interactions energy: -19.672 where: short stacking energy: -19.672 Base-Backbone interact. energy: -0.000 local terms energy: -20.825546 where: bonds (distance) C4'-P energy: -4.740 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -5.781 flat angles P-C4'-P energy: -3.443 tors. eta vs tors. theta energy: -1.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -39.292263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.292263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.292263 (E_RNA) where: Base-Base interactions energy: -15.516 where: short stacking energy: -15.516 Base-Backbone interact. energy: -0.000 local terms energy: -23.776514 where: bonds (distance) C4'-P energy: -4.102 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.101 flat angles P-C4'-P energy: -4.785 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: 5, replica: 10 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -46.310855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.310855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.310855 (E_RNA) where: Base-Base interactions energy: -22.507 where: short stacking energy: -22.507 Base-Backbone interact. energy: -0.000 local terms energy: -23.803614 where: bonds (distance) C4'-P energy: -4.176 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.020 flat angles P-C4'-P energy: -2.703 tors. eta vs tors. theta energy: -4.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -40.795041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.795041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.795041 (E_RNA) where: Base-Base interactions energy: -16.412 where: short stacking energy: -16.412 Base-Backbone interact. energy: -0.013 local terms energy: -24.370277 where: bonds (distance) C4'-P energy: -4.177 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -6.066 flat angles P-C4'-P energy: -5.239 tors. eta vs tors. theta energy: -3.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -37.871191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.871191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.871191 (E_RNA) where: Base-Base interactions energy: -18.150 where: short stacking energy: -18.150 Base-Backbone interact. energy: -0.011 local terms energy: -19.709993 where: bonds (distance) C4'-P energy: -3.175 bonds (distance) P-C4' energy: -4.463 flat angles C4'-P-C4' energy: -5.286 flat angles P-C4'-P energy: -4.877 tors. eta vs tors. theta energy: -1.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -46.212540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.212540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.212540 (E_RNA) where: Base-Base interactions energy: -20.162 where: short stacking energy: -20.162 Base-Backbone interact. energy: -0.002 local terms energy: -26.048317 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -5.426 flat angles P-C4'-P energy: -5.041 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: 9, replica: 3 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -32.042313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.042313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.042313 (E_RNA) where: Base-Base interactions energy: -8.487 where: short stacking energy: -8.487 Base-Backbone interact. energy: -0.022 local terms energy: -23.533920 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -5.721 flat angles P-C4'-P energy: -3.440 tors. eta vs tors. theta energy: -2.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -35.138756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.138756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.138756 (E_RNA) where: Base-Base interactions energy: -12.686 where: short stacking energy: -12.686 Base-Backbone interact. energy: -0.043 local terms energy: -22.409331 where: bonds (distance) C4'-P energy: -3.680 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.695 flat angles P-C4'-P energy: -3.548 tors. eta vs tors. theta energy: -2.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -44.933816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.933816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.933816 (E_RNA) where: Base-Base interactions energy: -18.401 where: short stacking energy: -18.401 Base-Backbone interact. energy: -0.069 local terms energy: -26.463577 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -5.813 flat angles P-C4'-P energy: -5.517 tors. eta vs tors. theta energy: -3.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -47.788505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.788505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.788505 (E_RNA) where: Base-Base interactions energy: -20.655 where: short stacking energy: -20.655 Base-Backbone interact. energy: -0.000 local terms energy: -27.133812 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -6.103 flat angles P-C4'-P energy: -4.560 tors. eta vs tors. theta energy: -4.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -45.106338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.106338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.106338 (E_RNA) where: Base-Base interactions energy: -19.432 where: short stacking energy: -19.432 Base-Backbone interact. energy: -0.000 local terms energy: -25.674289 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.342 flat angles P-C4'-P energy: -3.419 tors. eta vs tors. theta energy: -4.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -46.927919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.927919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.927919 (E_RNA) where: Base-Base interactions energy: -19.233 where: short stacking energy: -19.233 Base-Backbone interact. energy: -0.000 local terms energy: -27.694488 where: bonds (distance) C4'-P energy: -5.427 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -6.167 flat angles P-C4'-P energy: -4.397 tors. eta vs tors. theta energy: -5.290 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: 5, replica: 9 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -43.442861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.442861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.442861 (E_RNA) where: Base-Base interactions energy: -19.631 where: short stacking energy: -19.631 Base-Backbone interact. energy: -0.001 local terms energy: -23.811560 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -5.305 flat angles C4'-P-C4' energy: -5.314 flat angles P-C4'-P energy: -1.916 tors. eta vs tors. theta energy: -5.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -38.456204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.456204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.456204 (E_RNA) where: Base-Base interactions energy: -15.193 where: short stacking energy: -15.193 Base-Backbone interact. energy: -0.000 local terms energy: -23.263415 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -5.920 flat angles P-C4'-P energy: -3.178 tors. eta vs tors. theta energy: -2.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -33.774970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.774970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.774970 (E_RNA) where: Base-Base interactions energy: -11.605 where: short stacking energy: -11.605 Base-Backbone interact. energy: -0.033 local terms energy: -22.137452 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.690 flat angles P-C4'-P energy: -1.996 tors. eta vs tors. theta energy: -1.873 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: 4 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -35.535260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.535260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.535260 (E_RNA) where: Base-Base interactions energy: -14.496 where: short stacking energy: -14.496 Base-Backbone interact. energy: -0.009 local terms energy: -21.030682 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -3.265 flat angles P-C4'-P energy: -4.285 tors. eta vs tors. theta energy: -1.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -36.182628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.182628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.182628 (E_RNA) where: Base-Base interactions energy: -13.094 where: short stacking energy: -9.898 Base-Backbone interact. energy: -0.461 local terms energy: -22.627664 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.408 flat angles P-C4'-P energy: -4.775 tors. eta vs tors. theta energy: -1.111 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: 3 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -33.018160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.018160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.018160 (E_RNA) where: Base-Base interactions energy: -11.058 where: short stacking energy: -11.058 Base-Backbone interact. energy: -0.030 local terms energy: -21.930038 where: bonds (distance) C4'-P energy: -4.214 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -5.655 flat angles P-C4'-P energy: -4.166 tors. eta vs tors. theta energy: -1.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -55.435644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.435644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.435644 (E_RNA) where: Base-Base interactions energy: -36.922 where: short stacking energy: -17.628 Base-Backbone interact. energy: -0.023 local terms energy: -18.491122 where: bonds (distance) C4'-P energy: -2.164 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -3.679 flat angles P-C4'-P energy: -4.790 tors. eta vs tors. theta energy: -1.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -53.274417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.274417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.274417 (E_RNA) where: Base-Base interactions energy: -25.785 where: short stacking energy: -25.785 Base-Backbone interact. energy: -0.000 local terms energy: -27.489642 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -5.130 flat angles P-C4'-P energy: -4.600 tors. eta vs tors. theta energy: -6.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -43.010005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.010005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.010005 (E_RNA) where: Base-Base interactions energy: -18.614 where: short stacking energy: -18.614 Base-Backbone interact. energy: -0.000 local terms energy: -24.395348 where: bonds (distance) C4'-P energy: -5.961 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -6.151 flat angles P-C4'-P energy: -4.362 tors. eta vs tors. theta energy: -1.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -35.901157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.901157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.901157 (E_RNA) where: Base-Base interactions energy: -12.423 where: short stacking energy: -7.455 Base-Backbone interact. energy: -0.094 local terms energy: -23.384211 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -7.144 flat angles C4'-P-C4' energy: -5.181 flat angles P-C4'-P energy: -4.122 tors. eta vs tors. theta energy: -1.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -43.462066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.462066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.462066 (E_RNA) where: Base-Base interactions energy: -20.115 where: short stacking energy: -20.115 Base-Backbone interact. energy: -0.000 local terms energy: -23.347461 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -3.511 flat angles C4'-P-C4' energy: -6.184 flat angles P-C4'-P energy: -2.624 tors. eta vs tors. theta energy: -5.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -45.240079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.240079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.240079 (E_RNA) where: Base-Base interactions energy: -24.457 where: short stacking energy: -14.630 Base-Backbone interact. energy: -0.000 local terms energy: -20.783172 where: bonds (distance) C4'-P energy: -1.631 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.886 flat angles P-C4'-P energy: -4.506 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: 7, replica: 10 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -42.349776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.349776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.349776 (E_RNA) where: Base-Base interactions energy: -14.528 where: short stacking energy: -14.528 Base-Backbone interact. energy: -0.000 local terms energy: -27.821135 where: bonds (distance) C4'-P energy: -5.096 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -4.757 flat angles P-C4'-P energy: -5.697 tors. eta vs tors. theta energy: -5.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -36.398959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.398959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.398959 (E_RNA) where: Base-Base interactions energy: -13.208 where: short stacking energy: -13.208 Base-Backbone interact. energy: -0.011 local terms energy: -23.180109 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -6.501 flat angles P-C4'-P energy: -5.063 tors. eta vs tors. theta energy: -0.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -32.764762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.764762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.764762 (E_RNA) where: Base-Base interactions energy: -13.671 where: short stacking energy: -12.161 Base-Backbone interact. energy: -0.002 local terms energy: -19.091269 where: bonds (distance) C4'-P energy: -3.717 bonds (distance) P-C4' energy: -5.205 flat angles C4'-P-C4' energy: -4.841 flat angles P-C4'-P energy: -2.746 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: 3 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -34.192801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.192801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.192801 (E_RNA) where: Base-Base interactions energy: -13.491 where: short stacking energy: -13.491 Base-Backbone interact. energy: -0.100 local terms energy: -20.602133 where: bonds (distance) C4'-P energy: -3.121 bonds (distance) P-C4' energy: -6.361 flat angles C4'-P-C4' energy: -5.262 flat angles P-C4'-P energy: -2.097 tors. eta vs tors. theta energy: -3.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -49.156462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.156462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.156462 (E_RNA) where: Base-Base interactions energy: -23.738 where: short stacking energy: -23.738 Base-Backbone interact. energy: -0.000 local terms energy: -25.418435 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -5.970 flat angles C4'-P-C4' energy: -5.787 flat angles P-C4'-P energy: -3.117 tors. eta vs tors. theta energy: -4.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -44.427404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.427404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.427404 (E_RNA) where: Base-Base interactions energy: -19.561 where: short stacking energy: -19.561 Base-Backbone interact. energy: -0.000 local terms energy: -24.866037 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.914 flat angles C4'-P-C4' energy: -5.706 flat angles P-C4'-P energy: -3.633 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: 3, replica: 1 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -45.580650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.580650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.580650 (E_RNA) where: Base-Base interactions energy: -20.984 where: short stacking energy: -20.984 Base-Backbone interact. energy: -0.000 local terms energy: -24.595973 where: bonds (distance) C4'-P energy: -3.361 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -5.442 flat angles P-C4'-P energy: -3.305 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: 4, replica: 9 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -43.280618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.280618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.280618 (E_RNA) where: Base-Base interactions energy: -19.219 where: short stacking energy: -19.219 Base-Backbone interact. energy: -0.092 local terms energy: -23.970327 where: bonds (distance) C4'-P energy: -3.841 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -5.213 flat angles P-C4'-P energy: -4.143 tors. eta vs tors. theta energy: -4.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -42.315923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.315923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.315923 (E_RNA) where: Base-Base interactions energy: -15.537 where: short stacking energy: -15.537 Base-Backbone interact. energy: -0.000 local terms energy: -26.778428 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -5.688 flat angles P-C4'-P energy: -4.743 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: 6, replica: 8 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -34.035547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.035547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.035547 (E_RNA) where: Base-Base interactions energy: -15.848 where: short stacking energy: -10.194 Base-Backbone interact. energy: -0.004 local terms energy: -18.184271 where: bonds (distance) C4'-P energy: -1.942 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -4.704 flat angles P-C4'-P energy: -4.762 tors. eta vs tors. theta energy: -1.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -39.020048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.020048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.020048 (E_RNA) where: Base-Base interactions energy: -17.708 where: short stacking energy: -17.708 Base-Backbone interact. energy: -0.000 local terms energy: -21.311751 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -3.997 flat angles C4'-P-C4' energy: -5.323 flat angles P-C4'-P energy: -3.364 tors. eta vs tors. theta energy: -2.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -39.924954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.924954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.924954 (E_RNA) where: Base-Base interactions energy: -17.673 where: short stacking energy: -11.103 Base-Backbone interact. energy: 0.475 local terms energy: -22.726598 where: bonds (distance) C4'-P energy: -4.471 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.582 flat angles P-C4'-P energy: -4.285 tors. eta vs tors. theta energy: -2.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -32.970419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.970419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.970419 (E_RNA) where: Base-Base interactions energy: -12.435 where: short stacking energy: -12.435 Base-Backbone interact. energy: -0.000 local terms energy: -20.535217 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.437 flat angles P-C4'-P energy: -3.218 tors. eta vs tors. theta energy: 0.134 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: 446 Temperature: 1.350000 Total energy: -38.143082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.143082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.143082 (E_RNA) where: Base-Base interactions energy: -13.703 where: short stacking energy: -13.703 Base-Backbone interact. energy: -0.000 local terms energy: -24.439705 where: bonds (distance) C4'-P energy: -5.891 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.709 flat angles P-C4'-P energy: -2.339 tors. eta vs tors. theta energy: -3.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -45.159301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.159301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.159301 (E_RNA) where: Base-Base interactions energy: -19.062 where: short stacking energy: -19.062 Base-Backbone interact. energy: -0.003 local terms energy: -26.093898 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -6.004 flat angles P-C4'-P energy: -4.388 tors. eta vs tors. theta energy: -5.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -50.900965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.900965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.900965 (E_RNA) where: Base-Base interactions energy: -22.038 where: short stacking energy: -22.038 Base-Backbone interact. energy: -0.000 local terms energy: -28.862737 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -5.534 flat angles C4'-P-C4' energy: -5.448 flat angles P-C4'-P energy: -4.677 tors. eta vs tors. theta energy: -8.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -41.068707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.068707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.068707 (E_RNA) where: Base-Base interactions energy: -16.418 where: short stacking energy: -11.549 Base-Backbone interact. energy: -0.100 local terms energy: -24.550731 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.018 flat angles P-C4'-P energy: -4.856 tors. eta vs tors. theta energy: -2.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -43.136116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.136116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.136116 (E_RNA) where: Base-Base interactions energy: -16.390 where: short stacking energy: -16.390 Base-Backbone interact. energy: -0.003 local terms energy: -26.743912 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.095 flat angles P-C4'-P energy: -3.750 tors. eta vs tors. theta energy: -4.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -40.033104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.033104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.033104 (E_RNA) where: Base-Base interactions energy: -19.673 where: short stacking energy: -12.952 Base-Backbone interact. energy: -0.001 local terms energy: -20.359623 where: bonds (distance) C4'-P energy: -3.353 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -4.831 flat angles P-C4'-P energy: -4.352 tors. eta vs tors. theta energy: -1.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -39.104528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.104528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.104528 (E_RNA) where: Base-Base interactions energy: -14.924 where: short stacking energy: -14.924 Base-Backbone interact. energy: -0.866 local terms energy: -23.314709 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -3.848 flat angles P-C4'-P energy: -3.750 tors. eta vs tors. theta energy: -2.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -39.180666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.180666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.180666 (E_RNA) where: Base-Base interactions energy: -16.278 where: short stacking energy: -16.278 Base-Backbone interact. energy: -0.075 local terms energy: -22.826921 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.460 flat angles P-C4'-P energy: -3.970 tors. eta vs tors. theta energy: -2.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -44.425227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.425227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.425227 (E_RNA) where: Base-Base interactions energy: -20.859 where: short stacking energy: -20.859 Base-Backbone interact. energy: -0.000 local terms energy: -23.565824 where: bonds (distance) C4'-P energy: -4.802 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -4.698 flat angles P-C4'-P energy: -3.924 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: 9, replica: 10 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -31.480690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.480690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.480690 (E_RNA) where: Base-Base interactions energy: -12.774 where: short stacking energy: -9.800 Base-Backbone interact. energy: -0.160 local terms energy: -18.546558 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -5.684 flat angles C4'-P-C4' energy: -3.668 flat angles P-C4'-P energy: -3.862 tors. eta vs tors. theta energy: 0.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -32.514838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.514838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.514838 (E_RNA) where: Base-Base interactions energy: -10.877 where: short stacking energy: -10.877 Base-Backbone interact. energy: -0.001 local terms energy: -21.637500 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.144 flat angles P-C4'-P energy: -2.026 tors. eta vs tors. theta energy: -2.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -65.957696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.957696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.957696 (E_RNA) where: Base-Base interactions energy: -44.212 where: short stacking energy: -18.853 Base-Backbone interact. energy: -0.014 local terms energy: -21.731728 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -4.933 flat angles P-C4'-P energy: -4.099 tors. eta vs tors. theta energy: -1.056 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: 2 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -43.742034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.742034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.742034 (E_RNA) where: Base-Base interactions energy: -17.961 where: short stacking energy: -17.961 Base-Backbone interact. energy: -0.001 local terms energy: -25.780240 where: bonds (distance) C4'-P energy: -4.665 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.799 flat angles P-C4'-P energy: -4.469 tors. eta vs tors. theta energy: -4.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -44.592773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.592773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.592773 (E_RNA) where: Base-Base interactions energy: -18.650 where: short stacking energy: -18.650 Base-Backbone interact. energy: -0.000 local terms energy: -25.943056 where: bonds (distance) C4'-P energy: -3.635 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.182 flat angles P-C4'-P energy: -4.047 tors. eta vs tors. theta energy: -5.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -38.999893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.999893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.999893 (E_RNA) where: Base-Base interactions energy: -15.623 where: short stacking energy: -15.623 Base-Backbone interact. energy: -0.000 local terms energy: -23.376872 where: bonds (distance) C4'-P energy: -3.431 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -6.131 flat angles P-C4'-P energy: -3.175 tors. eta vs tors. theta energy: -4.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -46.710966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.710966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.710966 (E_RNA) where: Base-Base interactions energy: -24.364 where: short stacking energy: -15.668 Base-Backbone interact. energy: -0.000 local terms energy: -22.346471 where: bonds (distance) C4'-P energy: -3.237 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -4.899 flat angles P-C4'-P energy: -2.592 tors. eta vs tors. theta energy: -5.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -38.729998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.729998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.729998 (E_RNA) where: Base-Base interactions energy: -14.276 where: short stacking energy: -14.276 Base-Backbone interact. energy: -0.000 local terms energy: -24.453681 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.130 flat angles P-C4'-P energy: -3.534 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: 7, replica: 3 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -40.998349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.998349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.998349 (E_RNA) where: Base-Base interactions energy: -16.050 where: short stacking energy: -16.050 Base-Backbone interact. energy: -0.000 local terms energy: -24.947789 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -4.559 flat angles P-C4'-P energy: -4.000 tors. eta vs tors. theta energy: -5.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -33.657486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.657486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.657486 (E_RNA) where: Base-Base interactions energy: -12.105 where: short stacking energy: -12.105 Base-Backbone interact. energy: -0.000 local terms energy: -21.552062 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -4.168 flat angles P-C4'-P energy: -2.529 tors. eta vs tors. theta energy: -3.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -34.983654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.983654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.983654 (E_RNA) where: Base-Base interactions energy: -12.413 where: short stacking energy: -12.413 Base-Backbone interact. energy: -0.018 local terms energy: -22.552091 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.016 flat angles P-C4'-P energy: -3.409 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: 10, replica: 10 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -33.794904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.794904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.794904 (E_RNA) where: Base-Base interactions energy: -13.805 where: short stacking energy: -11.573 Base-Backbone interact. energy: -0.091 local terms energy: -19.898632 where: bonds (distance) C4'-P energy: -4.632 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -6.306 flat angles P-C4'-P energy: -4.421 tors. eta vs tors. theta energy: -0.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -65.668802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.668802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.668802 (E_RNA) where: Base-Base interactions energy: -42.153 where: short stacking energy: -17.605 Base-Backbone interact. energy: -0.018 local terms energy: -23.496961 where: bonds (distance) C4'-P energy: -4.727 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.992 flat angles P-C4'-P energy: -3.144 tors. eta vs tors. theta energy: -2.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -50.246850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.246850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.246850 (E_RNA) where: Base-Base interactions energy: -23.601 where: short stacking energy: -19.630 Base-Backbone interact. energy: -1.572 local terms energy: -25.074318 where: bonds (distance) C4'-P energy: -5.099 bonds (distance) P-C4' energy: -5.699 flat angles C4'-P-C4' energy: -5.094 flat angles P-C4'-P energy: -4.810 tors. eta vs tors. theta energy: -4.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -40.699155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.699155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.699155 (E_RNA) where: Base-Base interactions energy: -14.193 where: short stacking energy: -14.193 Base-Backbone interact. energy: -0.006 local terms energy: -26.499857 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -6.364 flat angles C4'-P-C4' energy: -5.460 flat angles P-C4'-P energy: -5.195 tors. eta vs tors. theta energy: -3.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -39.034707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.034707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.034707 (E_RNA) where: Base-Base interactions energy: -15.824 where: short stacking energy: -15.824 Base-Backbone interact. energy: -0.013 local terms energy: -23.197869 where: bonds (distance) C4'-P energy: -4.993 bonds (distance) P-C4' energy: -7.147 flat angles C4'-P-C4' energy: -6.252 flat angles P-C4'-P energy: -2.991 tors. eta vs tors. theta energy: -1.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -42.292304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.292304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.292304 (E_RNA) where: Base-Base interactions energy: -19.432 where: short stacking energy: -19.432 Base-Backbone interact. energy: -0.000 local terms energy: -22.860605 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -6.184 flat angles C4'-P-C4' energy: -6.006 flat angles P-C4'-P energy: -2.862 tors. eta vs tors. theta energy: -3.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -40.979651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.979651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.979651 (E_RNA) where: Base-Base interactions energy: -18.654 where: short stacking energy: -18.654 Base-Backbone interact. energy: -0.023 local terms energy: -22.302815 where: bonds (distance) C4'-P energy: -4.019 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -5.422 flat angles P-C4'-P energy: -2.706 tors. eta vs tors. theta energy: -3.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -37.476746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.476746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.476746 (E_RNA) where: Base-Base interactions energy: -15.215 where: short stacking energy: -9.854 Base-Backbone interact. energy: -0.006 local terms energy: -22.256283 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -4.374 flat angles P-C4'-P energy: -5.060 tors. eta vs tors. theta energy: -0.509 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: 8, replica: 4 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -41.531514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.531514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.531514 (E_RNA) where: Base-Base interactions energy: -16.405 where: short stacking energy: -16.405 Base-Backbone interact. energy: -0.000 local terms energy: -25.126286 where: bonds (distance) C4'-P energy: -4.917 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.144 flat angles P-C4'-P energy: -5.459 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: 9, replica: 8 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -37.023465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.023465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.023465 (E_RNA) where: Base-Base interactions energy: -14.936 where: short stacking energy: -14.936 Base-Backbone interact. energy: -0.000 local terms energy: -22.087883 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -6.096 flat angles P-C4'-P energy: -2.683 tors. eta vs tors. theta energy: -2.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -36.241445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.241445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.241445 (E_RNA) where: Base-Base interactions energy: -17.217 where: short stacking energy: -11.883 Base-Backbone interact. energy: 0.098 local terms energy: -19.122260 where: bonds (distance) C4'-P energy: -4.314 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -3.387 flat angles P-C4'-P energy: -3.235 tors. eta vs tors. theta energy: -1.522 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: 1, replica: 6 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -63.043345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.043345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.043345 (E_RNA) where: Base-Base interactions energy: -40.722 where: short stacking energy: -17.608 Base-Backbone interact. energy: -0.000 local terms energy: -22.320451 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -5.283 flat angles C4'-P-C4' energy: -5.457 flat angles P-C4'-P energy: -2.509 tors. eta vs tors. theta energy: -3.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -51.983319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.983319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.983319 (E_RNA) where: Base-Base interactions energy: -25.908 where: short stacking energy: -25.908 Base-Backbone interact. energy: -0.000 local terms energy: -26.075106 where: bonds (distance) C4'-P energy: -3.704 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -6.405 flat angles P-C4'-P energy: -2.316 tors. eta vs tors. theta energy: -7.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -44.040519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.040519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.040519 (E_RNA) where: Base-Base interactions energy: -18.686 where: short stacking energy: -18.686 Base-Backbone interact. energy: -0.000 local terms energy: -25.353933 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.719 flat angles P-C4'-P energy: -4.805 tors. eta vs tors. theta energy: -2.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -42.245091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.245091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.245091 (E_RNA) where: Base-Base interactions energy: -18.668 where: short stacking energy: -18.668 Base-Backbone interact. energy: -0.001 local terms energy: -23.576578 where: bonds (distance) C4'-P energy: -4.797 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.358 flat angles P-C4'-P energy: -5.201 tors. eta vs tors. theta energy: -2.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -38.907086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.907086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.907086 (E_RNA) where: Base-Base interactions energy: -16.510 where: short stacking energy: -14.820 Base-Backbone interact. energy: -0.502 local terms energy: -21.895761 where: bonds (distance) C4'-P energy: -2.670 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.354 flat angles P-C4'-P energy: -4.137 tors. eta vs tors. theta energy: -3.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -38.193762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.193762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.193762 (E_RNA) where: Base-Base interactions energy: -15.925 where: short stacking energy: -15.925 Base-Backbone interact. energy: 0.257 local terms energy: -22.525647 where: bonds (distance) C4'-P energy: -4.132 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.965 flat angles P-C4'-P energy: -3.806 tors. eta vs tors. theta energy: -2.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -40.289505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.289505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.289505 (E_RNA) where: Base-Base interactions energy: -18.232 where: short stacking energy: -18.232 Base-Backbone interact. energy: -0.000 local terms energy: -22.057941 where: bonds (distance) C4'-P energy: -3.874 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -4.277 flat angles P-C4'-P energy: -3.390 tors. eta vs tors. theta energy: -4.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -30.852276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.852276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.852276 (E_RNA) where: Base-Base interactions energy: -8.919 where: short stacking energy: -8.919 Base-Backbone interact. energy: -0.089 local terms energy: -21.844734 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.920 flat angles P-C4'-P energy: -4.026 tors. eta vs tors. theta energy: -0.247 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: 10 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -33.667796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.667796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.667796 (E_RNA) where: Base-Base interactions energy: -12.386 where: short stacking energy: -12.386 Base-Backbone interact. energy: -0.099 local terms energy: -21.182510 where: bonds (distance) C4'-P energy: -4.802 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.890 flat angles P-C4'-P energy: -2.172 tors. eta vs tors. theta energy: -2.123 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: 8 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -38.630342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.630342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.630342 (E_RNA) where: Base-Base interactions energy: -13.122 where: short stacking energy: -13.122 Base-Backbone interact. energy: -0.000 local terms energy: -25.508059 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.721 flat angles P-C4'-P energy: -4.320 tors. eta vs tors. theta energy: -3.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -58.842236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.842236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.842236 (E_RNA) where: Base-Base interactions energy: -37.352 where: short stacking energy: -13.538 Base-Backbone interact. energy: -0.022 local terms energy: -21.468488 where: bonds (distance) C4'-P energy: -4.640 bonds (distance) P-C4' energy: -5.368 flat angles C4'-P-C4' energy: -6.500 flat angles P-C4'-P energy: -4.251 tors. eta vs tors. theta energy: -0.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -42.354500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.354500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.354500 (E_RNA) where: Base-Base interactions energy: -18.879 where: short stacking energy: -18.879 Base-Backbone interact. energy: -0.046 local terms energy: -23.430146 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.745 flat angles P-C4'-P energy: -4.725 tors. eta vs tors. theta energy: -2.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -48.316453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.316453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.316453 (E_RNA) where: Base-Base interactions energy: -21.527 where: short stacking energy: -21.527 Base-Backbone interact. energy: -0.000 local terms energy: -26.789653 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.849 flat angles P-C4'-P energy: -5.067 tors. eta vs tors. theta energy: -3.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -38.872240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.872240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.872240 (E_RNA) where: Base-Base interactions energy: -20.107 where: short stacking energy: -20.107 Base-Backbone interact. energy: -0.095 local terms energy: -18.670082 where: bonds (distance) C4'-P energy: -5.427 bonds (distance) P-C4' energy: -1.787 flat angles C4'-P-C4' energy: -5.832 flat angles P-C4'-P energy: -1.980 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: 5, replica: 2 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -41.893138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.893138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.893138 (E_RNA) where: Base-Base interactions energy: -17.637 where: short stacking energy: -17.637 Base-Backbone interact. energy: -0.100 local terms energy: -24.156517 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.176 flat angles P-C4'-P energy: -4.140 tors. eta vs tors. theta energy: -3.710 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: 6, replica: 1 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -46.373230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.373230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.373230 (E_RNA) where: Base-Base interactions energy: -24.324 where: short stacking energy: -18.153 Base-Backbone interact. energy: -0.002 local terms energy: -22.046894 where: bonds (distance) C4'-P energy: -2.856 bonds (distance) P-C4' energy: -3.706 flat angles C4'-P-C4' energy: -5.976 flat angles P-C4'-P energy: -4.839 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: 7, replica: 4 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -41.501489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.501489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.501489 (E_RNA) where: Base-Base interactions energy: -20.787 where: short stacking energy: -20.787 Base-Backbone interact. energy: -0.000 local terms energy: -20.714059 where: bonds (distance) C4'-P energy: -2.885 bonds (distance) P-C4' energy: -5.273 flat angles C4'-P-C4' energy: -4.972 flat angles P-C4'-P energy: -4.284 tors. eta vs tors. theta energy: -3.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -33.808048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.808048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.808048 (E_RNA) where: Base-Base interactions energy: -11.895 where: short stacking energy: -11.895 Base-Backbone interact. energy: -0.115 local terms energy: -21.797859 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -5.370 flat angles P-C4'-P energy: -5.182 tors. eta vs tors. theta energy: -0.247 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: 3 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -28.794060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.794060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.794060 (E_RNA) where: Base-Base interactions energy: -8.979 where: short stacking energy: -8.979 Base-Backbone interact. energy: -0.000 local terms energy: -19.814698 where: bonds (distance) C4'-P energy: -0.981 bonds (distance) P-C4' energy: -5.886 flat angles C4'-P-C4' energy: -6.348 flat angles P-C4'-P energy: -5.259 tors. eta vs tors. theta energy: -1.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -32.737077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.737077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.737077 (E_RNA) where: Base-Base interactions energy: -13.631 where: short stacking energy: -13.631 Base-Backbone interact. energy: -0.000 local terms energy: -19.105580 where: bonds (distance) C4'-P energy: -4.631 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -3.779 flat angles P-C4'-P energy: -3.927 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: 5 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -41.782974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.782974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.782974 (E_RNA) where: Base-Base interactions energy: -17.591 where: short stacking energy: -11.756 Base-Backbone interact. energy: -0.078 local terms energy: -24.113344 where: bonds (distance) C4'-P energy: -4.230 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.418 flat angles P-C4'-P energy: -4.809 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: 2, replica: 6 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -42.826935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.826935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.826935 (E_RNA) where: Base-Base interactions energy: -18.849 where: short stacking energy: -18.849 Base-Backbone interact. energy: -0.059 local terms energy: -23.918548 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.147 flat angles P-C4'-P energy: -1.481 tors. eta vs tors. theta energy: -3.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -40.722157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.722157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.722157 (E_RNA) where: Base-Base interactions energy: -17.052 where: short stacking energy: -17.052 Base-Backbone interact. energy: -0.000 local terms energy: -23.669750 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.727 flat angles P-C4'-P energy: -2.089 tors. eta vs tors. theta energy: -2.717 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: 4, replica: 7 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -48.166866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.166866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.166866 (E_RNA) where: Base-Base interactions energy: -20.777 where: short stacking energy: -20.777 Base-Backbone interact. energy: -0.000 local terms energy: -27.389866 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.846 flat angles P-C4'-P energy: -4.435 tors. eta vs tors. theta energy: -5.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -41.736986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.736986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.736986 (E_RNA) where: Base-Base interactions energy: -23.719 where: short stacking energy: -10.182 Base-Backbone interact. energy: -0.008 local terms energy: -18.009420 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -3.834 flat angles P-C4'-P energy: -2.590 tors. eta vs tors. theta energy: 0.460 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: 6, replica: 2 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -36.444502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.444502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.444502 (E_RNA) where: Base-Base interactions energy: -19.542 where: short stacking energy: -17.075 Base-Backbone interact. energy: -0.369 local terms energy: -16.532953 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -4.290 flat angles C4'-P-C4' energy: -1.940 flat angles P-C4'-P energy: -2.447 tors. eta vs tors. theta energy: -1.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -36.476172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.476172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.476172 (E_RNA) where: Base-Base interactions energy: -14.293 where: short stacking energy: -14.293 Base-Backbone interact. energy: -0.104 local terms energy: -22.078890 where: bonds (distance) C4'-P energy: -3.435 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.746 flat angles P-C4'-P energy: -4.680 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: 8, replica: 10 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -33.038892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.038892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.038892 (E_RNA) where: Base-Base interactions energy: -16.014 where: short stacking energy: -16.014 Base-Backbone interact. energy: -0.000 local terms energy: -17.025046 where: bonds (distance) C4'-P energy: -2.951 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.791 flat angles P-C4'-P energy: -0.139 tors. eta vs tors. theta energy: -2.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -42.526155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.526155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.526155 (E_RNA) where: Base-Base interactions energy: -18.220 where: short stacking energy: -17.961 Base-Backbone interact. energy: -0.076 local terms energy: -24.229628 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -5.653 flat angles C4'-P-C4' energy: -4.561 flat angles P-C4'-P energy: -3.248 tors. eta vs tors. theta energy: -6.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -32.126209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.126209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.126209 (E_RNA) where: Base-Base interactions energy: -15.842 where: short stacking energy: -10.047 Base-Backbone interact. energy: -0.035 local terms energy: -16.249573 where: bonds (distance) C4'-P energy: -3.841 bonds (distance) P-C4' energy: -2.281 flat angles C4'-P-C4' energy: -5.215 flat angles P-C4'-P energy: -3.158 tors. eta vs tors. theta energy: -1.755 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: 5 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -43.897978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.897978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.897978 (E_RNA) where: Base-Base interactions energy: -19.427 where: short stacking energy: -19.427 Base-Backbone interact. energy: -0.000 local terms energy: -24.471125 where: bonds (distance) C4'-P energy: -4.086 bonds (distance) P-C4' energy: -6.184 flat angles C4'-P-C4' energy: -5.952 flat angles P-C4'-P energy: -3.651 tors. eta vs tors. theta energy: -4.598 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: 9 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -46.910239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.910239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.910239 (E_RNA) where: Base-Base interactions energy: -19.763 where: short stacking energy: -19.763 Base-Backbone interact. energy: -0.073 local terms energy: -27.073687 where: bonds (distance) C4'-P energy: -4.764 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.101 flat angles P-C4'-P energy: -3.943 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: 3, replica: 6 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -42.902174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.902174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.902174 (E_RNA) where: Base-Base interactions energy: -18.166 where: short stacking energy: -18.166 Base-Backbone interact. energy: -0.018 local terms energy: -24.718185 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -5.095 flat angles P-C4'-P energy: -3.960 tors. eta vs tors. theta energy: -5.266 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: 1 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -43.668522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.668522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.668522 (E_RNA) where: Base-Base interactions energy: -21.766 where: short stacking energy: -21.766 Base-Backbone interact. energy: 3.915 local terms energy: -25.817579 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -5.847 flat angles P-C4'-P energy: -3.069 tors. eta vs tors. theta energy: -5.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -40.996988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.996988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.996988 (E_RNA) where: Base-Base interactions energy: -14.584 where: short stacking energy: -14.584 Base-Backbone interact. energy: -0.000 local terms energy: -26.413288 where: bonds (distance) C4'-P energy: -3.692 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -5.864 flat angles P-C4'-P energy: -4.510 tors. eta vs tors. theta energy: -5.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -38.860870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.860870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.860870 (E_RNA) where: Base-Base interactions energy: -16.582 where: short stacking energy: -16.582 Base-Backbone interact. energy: -0.000 local terms energy: -22.278847 where: bonds (distance) C4'-P energy: -4.843 bonds (distance) P-C4' energy: -6.129 flat angles C4'-P-C4' energy: -5.127 flat angles P-C4'-P energy: -2.908 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: 7, replica: 2 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -45.482952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.482952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.482952 (E_RNA) where: Base-Base interactions energy: -21.491 where: short stacking energy: -19.081 Base-Backbone interact. energy: -0.070 local terms energy: -23.922185 where: bonds (distance) C4'-P energy: -4.346 bonds (distance) P-C4' energy: -5.165 flat angles C4'-P-C4' energy: -3.959 flat angles P-C4'-P energy: -4.282 tors. eta vs tors. theta energy: -6.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -30.818842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.818842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.818842 (E_RNA) where: Base-Base interactions energy: -10.743 where: short stacking energy: -10.743 Base-Backbone interact. energy: -0.029 local terms energy: -20.047550 where: bonds (distance) C4'-P energy: -4.619 bonds (distance) P-C4' energy: -3.907 flat angles C4'-P-C4' energy: -5.574 flat angles P-C4'-P energy: -3.958 tors. eta vs tors. theta energy: -1.989 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: 10 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -33.201631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.201631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.201631 (E_RNA) where: Base-Base interactions energy: -10.825 where: short stacking energy: -10.825 Base-Backbone interact. energy: -0.000 local terms energy: -22.376491 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -4.097 flat angles C4'-P-C4' energy: -5.928 flat angles P-C4'-P energy: -2.792 tors. eta vs tors. theta energy: -3.958 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: 3 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -32.286582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.286582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.286582 (E_RNA) where: Base-Base interactions energy: -12.789 where: short stacking energy: -12.789 Base-Backbone interact. energy: -0.007 local terms energy: -19.489760 where: bonds (distance) C4'-P energy: -3.307 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -5.413 flat angles P-C4'-P energy: -2.930 tors. eta vs tors. theta energy: -1.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -53.250535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.250535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.250535 (E_RNA) where: Base-Base interactions energy: -28.269 where: short stacking energy: -19.748 Base-Backbone interact. energy: -0.002 local terms energy: -24.979613 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.347 flat angles P-C4'-P energy: -3.407 tors. eta vs tors. theta energy: -3.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -49.889624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.889624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.889624 (E_RNA) where: Base-Base interactions energy: -24.794 where: short stacking energy: -24.794 Base-Backbone interact. energy: -0.000 local terms energy: -25.095036 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -3.971 flat angles P-C4'-P energy: -3.659 tors. eta vs tors. theta energy: -6.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -47.933966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.933966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.933966 (E_RNA) where: Base-Base interactions energy: -20.561 where: short stacking energy: -20.561 Base-Backbone interact. energy: -0.000 local terms energy: -27.373333 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.148 flat angles P-C4'-P energy: -3.451 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: 4, replica: 1 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -46.448549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.448549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.448549 (E_RNA) where: Base-Base interactions energy: -23.039 where: short stacking energy: -18.523 Base-Backbone interact. energy: -0.031 local terms energy: -23.378557 where: bonds (distance) C4'-P energy: -5.037 bonds (distance) P-C4' energy: -3.843 flat angles C4'-P-C4' energy: -6.263 flat angles P-C4'-P energy: -4.557 tors. eta vs tors. theta energy: -3.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -40.963481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.963481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.963481 (E_RNA) where: Base-Base interactions energy: -21.160 where: short stacking energy: -14.967 Base-Backbone interact. energy: -0.100 local terms energy: -19.703595 where: bonds (distance) C4'-P energy: -4.872 bonds (distance) P-C4' energy: -4.614 flat angles C4'-P-C4' energy: -6.295 flat angles P-C4'-P energy: -0.829 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: 6, replica: 4 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -37.996899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.996899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.996899 (E_RNA) where: Base-Base interactions energy: -15.363 where: short stacking energy: -15.363 Base-Backbone interact. energy: 0.280 local terms energy: -22.913600 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.413 flat angles C4'-P-C4' energy: -4.190 flat angles P-C4'-P energy: -4.148 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: 7, replica: 8 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -40.063733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.063733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.063733 (E_RNA) where: Base-Base interactions energy: -16.061 where: short stacking energy: -16.061 Base-Backbone interact. energy: -0.000 local terms energy: -24.002788 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -6.292 flat angles P-C4'-P energy: -3.447 tors. eta vs tors. theta energy: -2.239 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: 8, replica: 2 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -43.215533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.215533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.215533 (E_RNA) where: Base-Base interactions energy: -21.532 where: short stacking energy: -15.630 Base-Backbone interact. energy: -0.099 local terms energy: -21.583945 where: bonds (distance) C4'-P energy: -4.292 bonds (distance) P-C4' energy: -4.414 flat angles C4'-P-C4' energy: -5.214 flat angles P-C4'-P energy: -4.449 tors. eta vs tors. theta energy: -3.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -30.531411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.531411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.531411 (E_RNA) where: Base-Base interactions energy: -11.706 where: short stacking energy: -11.598 Base-Backbone interact. energy: -0.002 local terms energy: -18.823370 where: bonds (distance) C4'-P energy: -5.509 bonds (distance) P-C4' energy: -3.911 flat angles C4'-P-C4' energy: -3.656 flat angles P-C4'-P energy: -1.986 tors. eta vs tors. theta energy: -3.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -29.229402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.229402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.229402 (E_RNA) where: Base-Base interactions energy: -14.025 where: short stacking energy: -12.239 Base-Backbone interact. energy: -0.168 local terms energy: -15.036393 where: bonds (distance) C4'-P energy: -3.096 bonds (distance) P-C4' energy: -3.261 flat angles C4'-P-C4' energy: -5.357 flat angles P-C4'-P energy: -1.007 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: 1, replica: 9 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -47.823717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.823717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.823717 (E_RNA) where: Base-Base interactions energy: -24.103 where: short stacking energy: -18.662 Base-Backbone interact. energy: -0.100 local terms energy: -23.620645 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -3.103 flat angles P-C4'-P energy: -3.858 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: 2, replica: 6 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -48.312751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.312751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.312751 (E_RNA) where: Base-Base interactions energy: -21.792 where: short stacking energy: -21.792 Base-Backbone interact. energy: -0.000 local terms energy: -26.520727 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -4.573 flat angles P-C4'-P energy: -4.595 tors. eta vs tors. theta energy: -5.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -48.247966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.247966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.247966 (E_RNA) where: Base-Base interactions energy: -20.626 where: short stacking energy: -15.265 Base-Backbone interact. energy: -0.000 local terms energy: -27.621925 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -5.779 flat angles P-C4'-P energy: -3.980 tors. eta vs tors. theta energy: -7.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -47.340770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.340770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.340770 (E_RNA) where: Base-Base interactions energy: -19.516 where: short stacking energy: -19.516 Base-Backbone interact. energy: -0.000 local terms energy: -27.824614 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -5.699 flat angles C4'-P-C4' energy: -6.113 flat angles P-C4'-P energy: -4.383 tors. eta vs tors. theta energy: -6.439 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: 5, replica: 1 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -40.297890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.297890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.297890 (E_RNA) where: Base-Base interactions energy: -17.801 where: short stacking energy: -16.504 Base-Backbone interact. energy: -0.015 local terms energy: -22.481501 where: bonds (distance) C4'-P energy: -4.516 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -3.622 flat angles P-C4'-P energy: -4.622 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: 6, replica: 8 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -44.310653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.310653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.310653 (E_RNA) where: Base-Base interactions energy: -17.979 where: short stacking energy: -17.979 Base-Backbone interact. energy: -0.000 local terms energy: -26.331597 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -4.666 flat angles P-C4'-P energy: -1.714 tors. eta vs tors. theta energy: -7.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -39.439657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.439657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.439657 (E_RNA) where: Base-Base interactions energy: -17.084 where: short stacking energy: -15.158 Base-Backbone interact. energy: -0.016 local terms energy: -22.339957 where: bonds (distance) C4'-P energy: -4.549 bonds (distance) P-C4' energy: -5.837 flat angles C4'-P-C4' energy: -5.014 flat angles P-C4'-P energy: -4.488 tors. eta vs tors. theta energy: -2.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -32.691349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.691349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.691349 (E_RNA) where: Base-Base interactions energy: -13.510 where: short stacking energy: -13.510 Base-Backbone interact. energy: -0.079 local terms energy: -19.102943 where: bonds (distance) C4'-P energy: -5.125 bonds (distance) P-C4' energy: -4.688 flat angles C4'-P-C4' energy: -4.358 flat angles P-C4'-P energy: -3.988 tors. eta vs tors. theta energy: -0.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -38.287228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.287228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.287228 (E_RNA) where: Base-Base interactions energy: -17.103 where: short stacking energy: -12.536 Base-Backbone interact. energy: -0.066 local terms energy: -21.117786 where: bonds (distance) C4'-P energy: -4.810 bonds (distance) P-C4' energy: -4.405 flat angles C4'-P-C4' energy: -5.074 flat angles P-C4'-P energy: -3.891 tors. eta vs tors. theta energy: -2.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -34.248394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.248394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.248394 (E_RNA) where: Base-Base interactions energy: -11.202 where: short stacking energy: -11.222 Base-Backbone interact. energy: -0.000 local terms energy: -23.046822 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -4.568 flat angles P-C4'-P energy: -4.084 tors. eta vs tors. theta energy: -3.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -47.748044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.748044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.748044 (E_RNA) where: Base-Base interactions energy: -19.949 where: short stacking energy: -19.949 Base-Backbone interact. energy: -0.000 local terms energy: -27.798421 where: bonds (distance) C4'-P energy: -4.089 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -5.112 flat angles P-C4'-P energy: -4.458 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: 2, replica: 9 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -41.607351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.607351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.607351 (E_RNA) where: Base-Base interactions energy: -21.549 where: short stacking energy: -19.365 Base-Backbone interact. energy: -0.001 local terms energy: -20.057226 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -5.895 flat angles C4'-P-C4' energy: -3.324 flat angles P-C4'-P energy: -3.545 tors. eta vs tors. theta energy: -2.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -43.725614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.725614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.725614 (E_RNA) where: Base-Base interactions energy: -18.252 where: short stacking energy: -18.252 Base-Backbone interact. energy: -0.002 local terms energy: -25.472177 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.181 flat angles C4'-P-C4' energy: -6.538 flat angles P-C4'-P energy: -3.452 tors. eta vs tors. theta energy: -4.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -40.044269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.044269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.044269 (E_RNA) where: Base-Base interactions energy: -17.261 where: short stacking energy: -17.261 Base-Backbone interact. energy: -0.000 local terms energy: -22.783401 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -6.186 flat angles P-C4'-P energy: -1.976 tors. eta vs tors. theta energy: -2.348 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: 5, replica: 1 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -41.041317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.041317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.041317 (E_RNA) where: Base-Base interactions energy: -18.577 where: short stacking energy: -18.577 Base-Backbone interact. energy: -0.011 local terms energy: -22.453808 where: bonds (distance) C4'-P energy: -3.974 bonds (distance) P-C4' energy: -6.355 flat angles C4'-P-C4' energy: -4.721 flat angles P-C4'-P energy: -2.927 tors. eta vs tors. theta energy: -4.478 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: 8 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -41.589618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.589618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.589618 (E_RNA) where: Base-Base interactions energy: -16.005 where: short stacking energy: -16.005 Base-Backbone interact. energy: -0.095 local terms energy: -25.489478 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -5.506 flat angles C4'-P-C4' energy: -4.981 flat angles P-C4'-P energy: -4.127 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: 7, replica: 3 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -33.745231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.745231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.745231 (E_RNA) where: Base-Base interactions energy: -10.621 where: short stacking energy: -10.621 Base-Backbone interact. energy: -0.000 local terms energy: -23.123744 where: bonds (distance) C4'-P energy: -4.471 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -5.376 flat angles P-C4'-P energy: -4.362 tors. eta vs tors. theta energy: -2.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -31.573887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.573887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.573887 (E_RNA) where: Base-Base interactions energy: -10.020 where: short stacking energy: -8.476 Base-Backbone interact. energy: -0.005 local terms energy: -21.549666 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.343 flat angles P-C4'-P energy: -3.678 tors. eta vs tors. theta energy: -0.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -38.056181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.056181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.056181 (E_RNA) where: Base-Base interactions energy: -15.778 where: short stacking energy: -15.778 Base-Backbone interact. energy: -0.001 local terms energy: -22.277597 where: bonds (distance) C4'-P energy: -4.438 bonds (distance) P-C4' energy: -4.386 flat angles C4'-P-C4' energy: -5.015 flat angles P-C4'-P energy: -3.961 tors. eta vs tors. theta energy: -4.478 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: 2 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -31.150779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.150779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.150779 (E_RNA) where: Base-Base interactions energy: -8.421 where: short stacking energy: -8.421 Base-Backbone interact. energy: 0.250 local terms energy: -22.979802 where: bonds (distance) C4'-P energy: -4.019 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -6.236 flat angles P-C4'-P energy: -3.439 tors. eta vs tors. theta energy: -2.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -57.055154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.055154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.055154 (E_RNA) where: Base-Base interactions energy: -31.114 where: short stacking energy: -18.426 Base-Backbone interact. energy: -0.021 local terms energy: -25.919886 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -5.937 flat angles P-C4'-P energy: -4.625 tors. eta vs tors. theta energy: -3.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -43.792472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.792472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.792472 (E_RNA) where: Base-Base interactions energy: -16.858 where: short stacking energy: -16.858 Base-Backbone interact. energy: -0.020 local terms energy: -26.914523 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -4.530 flat angles P-C4'-P energy: -5.516 tors. eta vs tors. theta energy: -5.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -42.474372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.474372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.474372 (E_RNA) where: Base-Base interactions energy: -16.330 where: short stacking energy: -13.648 Base-Backbone interact. energy: -0.000 local terms energy: -26.144811 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -5.389 flat angles P-C4'-P energy: -4.049 tors. eta vs tors. theta energy: -4.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -35.026901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.026901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.026901 (E_RNA) where: Base-Base interactions energy: -15.871 where: short stacking energy: -15.871 Base-Backbone interact. energy: -0.010 local terms energy: -19.146236 where: bonds (distance) C4'-P energy: -5.112 bonds (distance) P-C4' energy: -5.941 flat angles C4'-P-C4' energy: -4.751 flat angles P-C4'-P energy: -3.360 tors. eta vs tors. theta energy: 0.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -39.772496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.772496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.772496 (E_RNA) where: Base-Base interactions energy: -16.187 where: short stacking energy: -16.187 Base-Backbone interact. energy: -0.000 local terms energy: -23.585028 where: bonds (distance) C4'-P energy: -3.857 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -4.956 flat angles P-C4'-P energy: -3.612 tors. eta vs tors. theta energy: -4.278 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: 3 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -39.877440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.877440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.877440 (E_RNA) where: Base-Base interactions energy: -16.183 where: short stacking energy: -16.183 Base-Backbone interact. energy: -0.001 local terms energy: -23.693920 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.442 flat angles P-C4'-P energy: -3.138 tors. eta vs tors. theta energy: -4.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -36.756041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.756041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.756041 (E_RNA) where: Base-Base interactions energy: -11.674 where: short stacking energy: -9.607 Base-Backbone interact. energy: -0.105 local terms energy: -24.976827 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.705 flat angles P-C4'-P energy: -3.725 tors. eta vs tors. theta energy: -3.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -35.071297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.071297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.071297 (E_RNA) where: Base-Base interactions energy: -15.304 where: short stacking energy: -15.304 Base-Backbone interact. energy: -0.023 local terms energy: -19.745133 where: bonds (distance) C4'-P energy: -3.983 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.825 flat angles P-C4'-P energy: -2.789 tors. eta vs tors. theta energy: -1.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -39.296867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.296867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.296867 (E_RNA) where: Base-Base interactions energy: -17.650 where: short stacking energy: -17.650 Base-Backbone interact. energy: -0.004 local terms energy: -21.643301 where: bonds (distance) C4'-P energy: -4.011 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.071 flat angles P-C4'-P energy: -3.961 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: 10, replica: 2 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -30.937418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.937418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.937418 (E_RNA) where: Base-Base interactions energy: -13.280 where: short stacking energy: -13.280 Base-Backbone interact. energy: -0.031 local terms energy: -17.626016 where: bonds (distance) C4'-P energy: -5.117 bonds (distance) P-C4' energy: -5.826 flat angles C4'-P-C4' energy: -1.184 flat angles P-C4'-P energy: -2.710 tors. eta vs tors. theta energy: -2.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -53.361992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.361992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.361992 (E_RNA) where: Base-Base interactions energy: -29.290 where: short stacking energy: -18.096 Base-Backbone interact. energy: -0.046 local terms energy: -24.025438 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -4.539 flat angles P-C4'-P energy: -4.311 tors. eta vs tors. theta energy: -3.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -48.157305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.157305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.157305 (E_RNA) where: Base-Base interactions energy: -18.700 where: short stacking energy: -18.700 Base-Backbone interact. energy: -0.025 local terms energy: -29.432279 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.422 flat angles P-C4'-P energy: -5.389 tors. eta vs tors. theta energy: -5.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -51.164988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.164988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.164988 (E_RNA) where: Base-Base interactions energy: -29.805 where: short stacking energy: -16.677 Base-Backbone interact. energy: -0.500 local terms energy: -20.860513 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.398 flat angles P-C4'-P energy: -2.995 tors. eta vs tors. theta energy: -2.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -37.696116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.696116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.696116 (E_RNA) where: Base-Base interactions energy: -14.249 where: short stacking energy: -14.249 Base-Backbone interact. energy: -0.000 local terms energy: -23.447022 where: bonds (distance) C4'-P energy: -3.982 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -5.675 flat angles P-C4'-P energy: -4.318 tors. eta vs tors. theta energy: -3.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -49.940826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.940826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.940826 (E_RNA) where: Base-Base interactions energy: -28.424 where: short stacking energy: -6.938 Base-Backbone interact. energy: -0.239 local terms energy: -21.277693 where: bonds (distance) C4'-P energy: -4.400 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.705 flat angles P-C4'-P energy: -3.967 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: 6, replica: 3 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -38.626523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.626523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.626523 (E_RNA) where: Base-Base interactions energy: -12.808 where: short stacking energy: -11.338 Base-Backbone interact. energy: -0.133 local terms energy: -25.685516 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -6.781 flat angles P-C4'-P energy: -3.965 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: 7, replica: 10 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -37.411789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.411789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.411789 (E_RNA) where: Base-Base interactions energy: -13.800 where: short stacking energy: -13.800 Base-Backbone interact. energy: -0.026 local terms energy: -23.586076 where: bonds (distance) C4'-P energy: -5.393 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.228 flat angles P-C4'-P energy: -4.526 tors. eta vs tors. theta energy: -1.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -34.391717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.391717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.391717 (E_RNA) where: Base-Base interactions energy: -13.181 where: short stacking energy: -8.741 Base-Backbone interact. energy: -0.023 local terms energy: -21.187243 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.603 flat angles P-C4'-P energy: -3.230 tors. eta vs tors. theta energy: 0.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -41.954596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.954596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.954596 (E_RNA) where: Base-Base interactions energy: -28.608 where: short stacking energy: -7.692 Base-Backbone interact. energy: -0.009 local terms energy: -13.337626 where: bonds (distance) C4'-P energy: -3.929 bonds (distance) P-C4' energy: -3.113 flat angles C4'-P-C4' energy: -3.931 flat angles P-C4'-P energy: -1.214 tors. eta vs tors. theta energy: -1.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -36.258456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.258456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.258456 (E_RNA) where: Base-Base interactions energy: -14.810 where: short stacking energy: -14.810 Base-Backbone interact. energy: -0.001 local terms energy: -21.447346 where: bonds (distance) C4'-P energy: -4.016 bonds (distance) P-C4' energy: -5.537 flat angles C4'-P-C4' energy: -5.206 flat angles P-C4'-P energy: -1.677 tors. eta vs tors. theta energy: -5.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -52.980842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.980842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.980842 (E_RNA) where: Base-Base interactions energy: -25.310 where: short stacking energy: -25.310 Base-Backbone interact. energy: -0.000 local terms energy: -27.671173 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.667 flat angles P-C4'-P energy: -3.474 tors. eta vs tors. theta energy: -6.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -45.820739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.820739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.820739 (E_RNA) where: Base-Base interactions energy: -21.228 where: short stacking energy: -21.228 Base-Backbone interact. energy: -0.005 local terms energy: -24.587358 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -5.337 flat angles C4'-P-C4' energy: -4.823 flat angles P-C4'-P energy: -4.347 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: 3, replica: 5 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -47.019848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.019848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.019848 (E_RNA) where: Base-Base interactions energy: -19.123 where: short stacking energy: -19.123 Base-Backbone interact. energy: -0.000 local terms energy: -27.896981 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.737 flat angles P-C4'-P energy: -3.895 tors. eta vs tors. theta energy: -6.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -37.072628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.072628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.072628 (E_RNA) where: Base-Base interactions energy: -12.694 where: short stacking energy: -12.694 Base-Backbone interact. energy: -0.000 local terms energy: -24.377763 where: bonds (distance) C4'-P energy: -4.661 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -5.665 flat angles P-C4'-P energy: -5.457 tors. eta vs tors. theta energy: -2.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -38.890388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.890388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.890388 (E_RNA) where: Base-Base interactions energy: -14.720 where: short stacking energy: -14.720 Base-Backbone interact. energy: -0.000 local terms energy: -24.170214 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -6.395 flat angles P-C4'-P energy: -4.488 tors. eta vs tors. theta energy: -1.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -36.302754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.302754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.302754 (E_RNA) where: Base-Base interactions energy: -13.557 where: short stacking energy: -13.557 Base-Backbone interact. energy: -0.001 local terms energy: -22.744758 where: bonds (distance) C4'-P energy: -4.540 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.027 flat angles P-C4'-P energy: -5.175 tors. eta vs tors. theta energy: -1.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -33.147491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.147491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.147491 (E_RNA) where: Base-Base interactions energy: -16.311 where: short stacking energy: -11.188 Base-Backbone interact. energy: 2.305 local terms energy: -19.142198 where: bonds (distance) C4'-P energy: -1.966 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -2.787 flat angles P-C4'-P energy: -5.087 tors. eta vs tors. theta energy: -3.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -36.238009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.238009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.238009 (E_RNA) where: Base-Base interactions energy: -16.324 where: short stacking energy: -16.324 Base-Backbone interact. energy: -0.000 local terms energy: -19.913292 where: bonds (distance) C4'-P energy: -4.454 bonds (distance) P-C4' energy: -4.110 flat angles C4'-P-C4' energy: -5.656 flat angles P-C4'-P energy: -3.781 tors. eta vs tors. theta energy: -1.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -37.993255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.993255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.993255 (E_RNA) where: Base-Base interactions energy: -17.000 where: short stacking energy: -17.000 Base-Backbone interact. energy: -0.002 local terms energy: -20.991297 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -3.485 flat angles C4'-P-C4' energy: -4.461 flat angles P-C4'-P energy: -3.983 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: 459 Temperature: 1.350000 Total energy: -35.847356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.847356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.847356 (E_RNA) where: Base-Base interactions energy: -12.584 where: short stacking energy: -12.584 Base-Backbone interact. energy: -0.010 local terms energy: -23.253012 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -5.255 flat angles P-C4'-P energy: -4.403 tors. eta vs tors. theta energy: -3.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -51.407234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.407234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.407234 (E_RNA) where: Base-Base interactions energy: -24.419 where: short stacking energy: -24.419 Base-Backbone interact. energy: -0.000 local terms energy: -26.988406 where: bonds (distance) C4'-P energy: -4.524 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -4.094 flat angles P-C4'-P energy: -3.128 tors. eta vs tors. theta energy: -8.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -51.231193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.231193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.231193 (E_RNA) where: Base-Base interactions energy: -25.298 where: short stacking energy: -25.298 Base-Backbone interact. energy: -0.000 local terms energy: -25.933156 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -4.794 flat angles C4'-P-C4' energy: -5.608 flat angles P-C4'-P energy: -4.141 tors. eta vs tors. theta energy: -5.740 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: 5 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -52.594603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.594603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.594603 (E_RNA) where: Base-Base interactions energy: -27.430 where: short stacking energy: -27.430 Base-Backbone interact. energy: -0.000 local terms energy: -25.164094 where: bonds (distance) C4'-P energy: -3.676 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -4.910 flat angles P-C4'-P energy: -3.326 tors. eta vs tors. theta energy: -6.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -40.014983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.014983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.014983 (E_RNA) where: Base-Base interactions energy: -16.009 where: short stacking energy: -16.009 Base-Backbone interact. energy: -0.000 local terms energy: -24.006474 where: bonds (distance) C4'-P energy: -4.408 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.964 flat angles P-C4'-P energy: -2.767 tors. eta vs tors. theta energy: -4.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -35.450556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.450556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.450556 (E_RNA) where: Base-Base interactions energy: -14.581 where: short stacking energy: -12.508 Base-Backbone interact. energy: -0.004 local terms energy: -20.865927 where: bonds (distance) C4'-P energy: -4.619 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -3.842 flat angles P-C4'-P energy: -3.968 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: 6, replica: 9 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -47.996404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.996404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.996404 (E_RNA) where: Base-Base interactions energy: -21.297 where: short stacking energy: -21.297 Base-Backbone interact. energy: -0.004 local terms energy: -26.695238 where: bonds (distance) C4'-P energy: -3.746 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.514 flat angles P-C4'-P energy: -4.784 tors. eta vs tors. theta energy: -6.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -43.550978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.550978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.550978 (E_RNA) where: Base-Base interactions energy: -18.364 where: short stacking energy: -18.364 Base-Backbone interact. energy: -0.000 local terms energy: -25.186868 where: bonds (distance) C4'-P energy: -3.867 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.055 flat angles P-C4'-P energy: -4.690 tors. eta vs tors. theta energy: -5.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -34.234513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.234513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.234513 (E_RNA) where: Base-Base interactions energy: -15.391 where: short stacking energy: -15.391 Base-Backbone interact. energy: -0.011 local terms energy: -18.832605 where: bonds (distance) C4'-P energy: -3.022 bonds (distance) P-C4' energy: -3.770 flat angles C4'-P-C4' energy: -5.452 flat angles P-C4'-P energy: -4.012 tors. eta vs tors. theta energy: -2.576 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: 4 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -35.276793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.276793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.276793 (E_RNA) where: Base-Base interactions energy: -15.524 where: short stacking energy: -15.524 Base-Backbone interact. energy: -0.042 local terms energy: -19.711625 where: bonds (distance) C4'-P energy: -3.295 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -6.225 flat angles P-C4'-P energy: -3.534 tors. eta vs tors. theta energy: -2.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -33.090217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.090217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.090217 (E_RNA) where: Base-Base interactions energy: -13.240 where: short stacking energy: -13.240 Base-Backbone interact. energy: -0.002 local terms energy: -19.848271 where: bonds (distance) C4'-P energy: -4.251 bonds (distance) P-C4' energy: -4.825 flat angles C4'-P-C4' energy: -6.152 flat angles P-C4'-P energy: -3.759 tors. eta vs tors. theta energy: -0.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -53.600890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.600890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.600890 (E_RNA) where: Base-Base interactions energy: -24.536 where: short stacking energy: -24.536 Base-Backbone interact. energy: -0.000 local terms energy: -29.064435 where: bonds (distance) C4'-P energy: -4.823 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -6.009 flat angles P-C4'-P energy: -4.510 tors. eta vs tors. theta energy: -7.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -48.323427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.323427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.323427 (E_RNA) where: Base-Base interactions energy: -24.873 where: short stacking energy: -24.873 Base-Backbone interact. energy: -0.000 local terms energy: -23.450683 where: bonds (distance) C4'-P energy: -4.343 bonds (distance) P-C4' energy: -5.674 flat angles C4'-P-C4' energy: -4.630 flat angles P-C4'-P energy: -1.306 tors. eta vs tors. theta energy: -7.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -43.432755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.432755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.432755 (E_RNA) where: Base-Base interactions energy: -18.300 where: short stacking energy: -18.300 Base-Backbone interact. energy: -0.000 local terms energy: -25.132182 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -5.586 flat angles P-C4'-P energy: -5.314 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: 4, replica: 10 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -49.949971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.949971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.949971 (E_RNA) where: Base-Base interactions energy: -20.096 where: short stacking energy: -20.096 Base-Backbone interact. energy: -0.000 local terms energy: -29.853585 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -6.053 flat angles P-C4'-P energy: -4.189 tors. eta vs tors. theta energy: -7.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -42.227202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.227202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.227202 (E_RNA) where: Base-Base interactions energy: -24.867 where: short stacking energy: -5.872 Base-Backbone interact. energy: -0.035 local terms energy: -17.325289 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.003 flat angles P-C4'-P energy: -1.275 tors. eta vs tors. theta energy: 1.159 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: 3 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -40.209759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.209759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.209759 (E_RNA) where: Base-Base interactions energy: -18.671 where: short stacking energy: -18.671 Base-Backbone interact. energy: -0.000 local terms energy: -21.538378 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -2.465 flat angles P-C4'-P energy: -4.057 tors. eta vs tors. theta energy: -2.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -41.845874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.845874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.845874 (E_RNA) where: Base-Base interactions energy: -24.426 where: short stacking energy: -10.551 Base-Backbone interact. energy: -0.071 local terms energy: -17.348638 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -5.445 flat angles C4'-P-C4' energy: -3.248 flat angles P-C4'-P energy: -1.927 tors. eta vs tors. theta energy: -0.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -42.191477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.191477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.191477 (E_RNA) where: Base-Base interactions energy: -20.352 where: short stacking energy: -20.352 Base-Backbone interact. energy: -0.000 local terms energy: -21.838606 where: bonds (distance) C4'-P energy: -4.639 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -5.271 flat angles P-C4'-P energy: -2.624 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: 9, replica: 2 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -40.215235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.215235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.215235 (E_RNA) where: Base-Base interactions energy: -19.671 where: short stacking energy: -19.671 Base-Backbone interact. energy: -0.001 local terms energy: -20.544048 where: bonds (distance) C4'-P energy: -1.895 bonds (distance) P-C4' energy: -1.898 flat angles C4'-P-C4' energy: -5.407 flat angles P-C4'-P energy: -4.178 tors. eta vs tors. theta energy: -7.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -28.864018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.864018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.864018 (E_RNA) where: Base-Base interactions energy: -8.563 where: short stacking energy: -8.563 Base-Backbone interact. energy: -0.003 local terms energy: -20.297609 where: bonds (distance) C4'-P energy: -4.404 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -4.352 flat angles P-C4'-P energy: -3.709 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: 1, replica: 5 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -45.148026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.148026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.148026 (E_RNA) where: Base-Base interactions energy: -22.083 where: short stacking energy: -22.083 Base-Backbone interact. energy: -0.000 local terms energy: -23.065279 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -4.339 flat angles C4'-P-C4' energy: -5.979 flat angles P-C4'-P energy: -2.135 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: 2, replica: 1 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -48.215585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.215585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.215585 (E_RNA) where: Base-Base interactions energy: -23.318 where: short stacking energy: -23.318 Base-Backbone interact. energy: -0.002 local terms energy: -24.895356 where: bonds (distance) C4'-P energy: -4.755 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -5.426 flat angles P-C4'-P energy: -2.527 tors. eta vs tors. theta energy: -5.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -41.998740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.998740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.998740 (E_RNA) where: Base-Base interactions energy: -15.171 where: short stacking energy: -15.171 Base-Backbone interact. energy: -0.001 local terms energy: -26.827325 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -5.957 flat angles P-C4'-P energy: -4.290 tors. eta vs tors. theta energy: -5.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -43.151284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.151284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.151284 (E_RNA) where: Base-Base interactions energy: -18.407 where: short stacking energy: -18.407 Base-Backbone interact. energy: -0.102 local terms energy: -24.642271 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -4.939 flat angles P-C4'-P energy: -5.705 tors. eta vs tors. theta energy: -2.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -37.243578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.243578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.243578 (E_RNA) where: Base-Base interactions energy: -17.517 where: short stacking energy: -13.757 Base-Backbone interact. energy: -0.083 local terms energy: -19.643843 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -3.798 flat angles P-C4'-P energy: -3.422 tors. eta vs tors. theta energy: -0.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -38.709983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.709983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.709983 (E_RNA) where: Base-Base interactions energy: -14.228 where: short stacking energy: -14.228 Base-Backbone interact. energy: -0.062 local terms energy: -24.419857 where: bonds (distance) C4'-P energy: -4.806 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -5.978 flat angles P-C4'-P energy: -4.781 tors. eta vs tors. theta energy: -3.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -33.367319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.367319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.367319 (E_RNA) where: Base-Base interactions energy: -16.314 where: short stacking energy: -10.904 Base-Backbone interact. energy: -0.002 local terms energy: -17.051771 where: bonds (distance) C4'-P energy: -2.810 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -3.807 flat angles P-C4'-P energy: -3.645 tors. eta vs tors. theta energy: -0.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -35.138932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.138932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.138932 (E_RNA) where: Base-Base interactions energy: -18.397 where: short stacking energy: -10.072 Base-Backbone interact. energy: 0.053 local terms energy: -16.794876 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -5.150 flat angles C4'-P-C4' energy: -6.461 flat angles P-C4'-P energy: -0.852 tors. eta vs tors. theta energy: 0.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -33.615720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.615720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.615720 (E_RNA) where: Base-Base interactions energy: -13.837 where: short stacking energy: -12.650 Base-Backbone interact. energy: -0.004 local terms energy: -19.774604 where: bonds (distance) C4'-P energy: -4.019 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -4.332 flat angles P-C4'-P energy: -2.075 tors. eta vs tors. theta energy: -2.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -37.970139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.970139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.970139 (E_RNA) where: Base-Base interactions energy: -21.718 where: short stacking energy: -9.146 Base-Backbone interact. energy: -0.235 local terms energy: -16.017165 where: bonds (distance) C4'-P energy: -2.492 bonds (distance) P-C4' energy: -4.727 flat angles C4'-P-C4' energy: -6.133 flat angles P-C4'-P energy: -2.732 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: 5 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -49.594928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.594928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.594928 (E_RNA) where: Base-Base interactions energy: -22.584 where: short stacking energy: -22.584 Base-Backbone interact. energy: -0.023 local terms energy: -26.987724 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.607 flat angles P-C4'-P energy: -5.584 tors. eta vs tors. theta energy: -4.856 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: 2, replica: 1 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -43.257277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.257277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.257277 (E_RNA) where: Base-Base interactions energy: -19.669 where: short stacking energy: -19.669 Base-Backbone interact. energy: -0.099 local terms energy: -23.488900 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -5.339 flat angles C4'-P-C4' energy: -5.690 flat angles P-C4'-P energy: -3.561 tors. eta vs tors. theta energy: -3.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -43.422565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.422565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.422565 (E_RNA) where: Base-Base interactions energy: -20.302 where: short stacking energy: -20.302 Base-Backbone interact. energy: -0.000 local terms energy: -23.120278 where: bonds (distance) C4'-P energy: -4.631 bonds (distance) P-C4' energy: -5.576 flat angles C4'-P-C4' energy: -5.319 flat angles P-C4'-P energy: -3.821 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: 4, replica: 3 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -46.278460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.278460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.278460 (E_RNA) where: Base-Base interactions energy: -25.008 where: short stacking energy: -25.008 Base-Backbone interact. energy: -0.000 local terms energy: -21.269815 where: bonds (distance) C4'-P energy: -4.132 bonds (distance) P-C4' energy: -3.190 flat angles C4'-P-C4' energy: -5.311 flat angles P-C4'-P energy: -1.573 tors. eta vs tors. theta energy: -7.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -44.893054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.893054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.893054 (E_RNA) where: Base-Base interactions energy: -20.619 where: short stacking energy: -20.619 Base-Backbone interact. energy: -0.001 local terms energy: -24.273423 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -5.152 flat angles C4'-P-C4' energy: -4.787 flat angles P-C4'-P energy: -2.637 tors. eta vs tors. theta energy: -5.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -35.266269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.266269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.266269 (E_RNA) where: Base-Base interactions energy: -11.381 where: short stacking energy: -11.381 Base-Backbone interact. energy: -0.061 local terms energy: -23.824828 where: bonds (distance) C4'-P energy: -4.511 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -6.452 flat angles P-C4'-P energy: -4.489 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: 7, replica: 7 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -33.373523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.373523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.373523 (E_RNA) where: Base-Base interactions energy: -11.732 where: short stacking energy: -11.732 Base-Backbone interact. energy: 0.063 local terms energy: -21.704762 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -4.713 flat angles P-C4'-P energy: -4.303 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: 8, replica: 2 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -34.416630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.416630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.416630 (E_RNA) where: Base-Base interactions energy: -14.410 where: short stacking energy: -8.462 Base-Backbone interact. energy: -0.014 local terms energy: -19.992834 where: bonds (distance) C4'-P energy: -4.756 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -5.464 flat angles P-C4'-P energy: -2.919 tors. eta vs tors. theta energy: -0.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -33.079943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.079943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.079943 (E_RNA) where: Base-Base interactions energy: -12.886 where: short stacking energy: -12.886 Base-Backbone interact. energy: -0.067 local terms energy: -20.127826 where: bonds (distance) C4'-P energy: -4.619 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -3.131 flat angles P-C4'-P energy: -4.934 tors. eta vs tors. theta energy: -0.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -39.540967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.540967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.540967 (E_RNA) where: Base-Base interactions energy: -20.481 where: short stacking energy: -20.481 Base-Backbone interact. energy: -0.000 local terms energy: -19.059475 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -5.410 flat angles C4'-P-C4' energy: -3.012 flat angles P-C4'-P energy: -3.037 tors. eta vs tors. theta energy: -2.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -56.733615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.733615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.733615 (E_RNA) where: Base-Base interactions energy: -27.034 where: short stacking energy: -27.034 Base-Backbone interact. energy: -0.000 local terms energy: -29.699758 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.323 flat angles P-C4'-P energy: -3.320 tors. eta vs tors. theta energy: -8.003 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: 5 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -41.875223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.875223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.875223 (E_RNA) where: Base-Base interactions energy: -20.291 where: short stacking energy: -8.619 Base-Backbone interact. energy: 0.594 local terms energy: -22.178743 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -3.588 flat angles P-C4'-P energy: -3.673 tors. eta vs tors. theta energy: -3.311 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: 10 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -48.648032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.648032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.648032 (E_RNA) where: Base-Base interactions energy: -21.837 where: short stacking energy: -21.837 Base-Backbone interact. energy: -0.000 local terms energy: -26.811027 where: bonds (distance) C4'-P energy: -5.444 bonds (distance) P-C4' energy: -5.273 flat angles C4'-P-C4' energy: -6.106 flat angles P-C4'-P energy: -3.107 tors. eta vs tors. theta energy: -6.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -43.646116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.646116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.646116 (E_RNA) where: Base-Base interactions energy: -20.997 where: short stacking energy: -20.997 Base-Backbone interact. energy: 0.082 local terms energy: -22.730868 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -5.603 flat angles P-C4'-P energy: -1.297 tors. eta vs tors. theta energy: -3.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -44.397872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.397872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.397872 (E_RNA) where: Base-Base interactions energy: -18.029 where: short stacking energy: -18.029 Base-Backbone interact. energy: -0.000 local terms energy: -26.368509 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.131 flat angles P-C4'-P energy: -4.870 tors. eta vs tors. theta energy: -3.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -40.029586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.029586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.029586 (E_RNA) where: Base-Base interactions energy: -17.609 where: short stacking energy: -15.905 Base-Backbone interact. energy: -1.311 local terms energy: -21.109797 where: bonds (distance) C4'-P energy: -4.242 bonds (distance) P-C4' energy: -3.269 flat angles C4'-P-C4' energy: -5.322 flat angles P-C4'-P energy: -3.578 tors. eta vs tors. theta energy: -4.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -36.415325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.415325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.415325 (E_RNA) where: Base-Base interactions energy: -13.982 where: short stacking energy: -13.982 Base-Backbone interact. energy: -0.000 local terms energy: -22.433383 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.385 flat angles P-C4'-P energy: -1.632 tors. eta vs tors. theta energy: -2.873 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: 2 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -35.160320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.160320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.160320 (E_RNA) where: Base-Base interactions energy: -12.801 where: short stacking energy: -12.419 Base-Backbone interact. energy: -0.000 local terms energy: -22.359207 where: bonds (distance) C4'-P energy: -4.756 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.533 flat angles P-C4'-P energy: -2.044 tors. eta vs tors. theta energy: -3.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -31.893312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.893312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.893312 (E_RNA) where: Base-Base interactions energy: -11.069 where: short stacking energy: -11.069 Base-Backbone interact. energy: -0.100 local terms energy: -20.723735 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -4.241 flat angles P-C4'-P energy: -1.663 tors. eta vs tors. theta energy: -2.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -28.251045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.251045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.251045 (E_RNA) where: Base-Base interactions energy: -12.698 where: short stacking energy: -10.402 Base-Backbone interact. energy: -0.045 local terms energy: -15.508129 where: bonds (distance) C4'-P energy: -3.191 bonds (distance) P-C4' energy: -5.150 flat angles C4'-P-C4' energy: -5.543 flat angles P-C4'-P energy: -1.013 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: 1, replica: 1 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -51.814397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.814397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.814397 (E_RNA) where: Base-Base interactions energy: -27.004 where: short stacking energy: -27.004 Base-Backbone interact. energy: -0.000 local terms energy: -24.810387 where: bonds (distance) C4'-P energy: -3.051 bonds (distance) P-C4' energy: -5.043 flat angles C4'-P-C4' energy: -6.076 flat angles P-C4'-P energy: -4.368 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: 2, replica: 10 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -46.749788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.749788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.749788 (E_RNA) where: Base-Base interactions energy: -22.869 where: short stacking energy: -22.869 Base-Backbone interact. energy: -0.001 local terms energy: -23.880253 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -3.384 flat angles P-C4'-P energy: -3.956 tors. eta vs tors. theta energy: -5.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -47.479878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.479878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.479878 (E_RNA) where: Base-Base interactions energy: -23.205 where: short stacking energy: -23.205 Base-Backbone interact. energy: -0.000 local terms energy: -24.274462 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -4.646 flat angles C4'-P-C4' energy: -4.981 flat angles P-C4'-P energy: -3.082 tors. eta vs tors. theta energy: -6.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -40.818132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.818132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.818132 (E_RNA) where: Base-Base interactions energy: -18.624 where: short stacking energy: -18.624 Base-Backbone interact. energy: -0.000 local terms energy: -22.194000 where: bonds (distance) C4'-P energy: -4.516 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -3.882 flat angles P-C4'-P energy: -4.214 tors. eta vs tors. theta energy: -2.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -35.349559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.349559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.349559 (E_RNA) where: Base-Base interactions energy: -12.218 where: short stacking energy: -12.218 Base-Backbone interact. energy: -0.002 local terms energy: -23.129977 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -5.407 flat angles P-C4'-P energy: -3.761 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: 6, replica: 6 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -36.944479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.944479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.944479 (E_RNA) where: Base-Base interactions energy: -15.113 where: short stacking energy: -15.113 Base-Backbone interact. energy: -0.000 local terms energy: -21.831092 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -5.277 flat angles P-C4'-P energy: -3.000 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: 7, replica: 7 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -33.551071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.551071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.551071 (E_RNA) where: Base-Base interactions energy: -15.141 where: short stacking energy: -14.616 Base-Backbone interact. energy: -0.097 local terms energy: -18.312749 where: bonds (distance) C4'-P energy: -2.111 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -5.995 flat angles P-C4'-P energy: -1.713 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: 8, replica: 8 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -38.404479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.404479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.404479 (E_RNA) where: Base-Base interactions energy: -14.629 where: short stacking energy: -14.629 Base-Backbone interact. energy: -0.011 local terms energy: -23.764367 where: bonds (distance) C4'-P energy: -4.740 bonds (distance) P-C4' energy: -6.657 flat angles C4'-P-C4' energy: -5.035 flat angles P-C4'-P energy: -4.829 tors. eta vs tors. theta energy: -2.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -33.188783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.188783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.188783 (E_RNA) where: Base-Base interactions energy: -14.240 where: short stacking energy: -10.086 Base-Backbone interact. energy: -0.045 local terms energy: -18.903132 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -5.438 flat angles C4'-P-C4' energy: -4.287 flat angles P-C4'-P energy: -3.266 tors. eta vs tors. theta energy: -0.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -38.244864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.244864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.244864 (E_RNA) where: Base-Base interactions energy: -16.163 where: short stacking energy: -16.163 Base-Backbone interact. energy: -0.064 local terms energy: -22.018191 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -5.274 flat angles P-C4'-P energy: -4.174 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: 1, replica: 10 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -47.305317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.305317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.305317 (E_RNA) where: Base-Base interactions energy: -22.800 where: short stacking energy: -17.498 Base-Backbone interact. energy: -0.000 local terms energy: -24.505029 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.970 flat angles P-C4'-P energy: -4.008 tors. eta vs tors. theta energy: -3.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -43.794402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.794402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.794402 (E_RNA) where: Base-Base interactions energy: -19.975 where: short stacking energy: -19.975 Base-Backbone interact. energy: -0.000 local terms energy: -23.818954 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -4.972 flat angles P-C4'-P energy: -3.664 tors. eta vs tors. theta energy: -3.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -46.553329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.553329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.553329 (E_RNA) where: Base-Base interactions energy: -21.272 where: short stacking energy: -21.272 Base-Backbone interact. energy: -0.000 local terms energy: -25.281547 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -6.147 flat angles P-C4'-P energy: -3.566 tors. eta vs tors. theta energy: -5.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -44.684243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.684243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.684243 (E_RNA) where: Base-Base interactions energy: -22.920 where: short stacking energy: -16.849 Base-Backbone interact. energy: -0.000 local terms energy: -21.764226 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -3.685 flat angles P-C4'-P energy: -2.741 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: 5, replica: 6 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -34.914632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.914632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.914632 (E_RNA) where: Base-Base interactions energy: -13.820 where: short stacking energy: -12.675 Base-Backbone interact. energy: -0.052 local terms energy: -21.042599 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -3.411 flat angles P-C4'-P energy: -4.019 tors. eta vs tors. theta energy: -0.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -38.613487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.613487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.613487 (E_RNA) where: Base-Base interactions energy: -14.713 where: short stacking energy: -10.619 Base-Backbone interact. energy: -0.032 local terms energy: -23.868818 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.014 flat angles P-C4'-P energy: -4.511 tors. eta vs tors. theta energy: -1.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -34.036719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.036719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.036719 (E_RNA) where: Base-Base interactions energy: -13.881 where: short stacking energy: -13.881 Base-Backbone interact. energy: -0.003 local terms energy: -20.152354 where: bonds (distance) C4'-P energy: -4.301 bonds (distance) P-C4' energy: -4.360 flat angles C4'-P-C4' energy: -3.764 flat angles P-C4'-P energy: -5.118 tors. eta vs tors. theta energy: -2.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -36.499412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.499412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.499412 (E_RNA) where: Base-Base interactions energy: -16.804 where: short stacking energy: -16.804 Base-Backbone interact. energy: -0.000 local terms energy: -19.695009 where: bonds (distance) C4'-P energy: -5.306 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -4.871 flat angles P-C4'-P energy: -1.903 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: 9, replica: 4 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -34.816099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.816099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.816099 (E_RNA) where: Base-Base interactions energy: -11.289 where: short stacking energy: -11.289 Base-Backbone interact. energy: -0.757 local terms energy: -22.769605 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -5.082 flat angles C4'-P-C4' energy: -5.007 flat angles P-C4'-P energy: -3.587 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: 2 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -32.658188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.658188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.658188 (E_RNA) where: Base-Base interactions energy: -14.820 where: short stacking energy: -10.084 Base-Backbone interact. energy: -0.006 local terms energy: -17.831452 where: bonds (distance) C4'-P energy: -2.409 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -3.520 flat angles P-C4'-P energy: -4.629 tors. eta vs tors. theta energy: -0.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -52.441981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.441981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.441981 (E_RNA) where: Base-Base interactions energy: -25.956 where: short stacking energy: -25.956 Base-Backbone interact. energy: -0.000 local terms energy: -26.486290 where: bonds (distance) C4'-P energy: -4.293 bonds (distance) P-C4' energy: -5.637 flat angles C4'-P-C4' energy: -5.887 flat angles P-C4'-P energy: -4.476 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: 2, replica: 1 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -41.585029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.585029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.585029 (E_RNA) where: Base-Base interactions energy: -15.823 where: short stacking energy: -15.823 Base-Backbone interact. energy: -0.001 local terms energy: -25.760997 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.481 flat angles P-C4'-P energy: -2.821 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: 3, replica: 5 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -43.570513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.570513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.570513 (E_RNA) where: Base-Base interactions energy: -19.294 where: short stacking energy: -14.753 Base-Backbone interact. energy: -0.001 local terms energy: -24.275318 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -5.131 flat angles C4'-P-C4' energy: -4.696 flat angles P-C4'-P energy: -5.186 tors. eta vs tors. theta energy: -4.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -43.832812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.832812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.832812 (E_RNA) where: Base-Base interactions energy: -17.576 where: short stacking energy: -17.576 Base-Backbone interact. energy: -0.000 local terms energy: -26.257220 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -6.161 flat angles P-C4'-P energy: -3.272 tors. eta vs tors. theta energy: -5.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -44.430862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.430862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.430862 (E_RNA) where: Base-Base interactions energy: -25.961 where: short stacking energy: -15.767 Base-Backbone interact. energy: -0.059 local terms energy: -18.410539 where: bonds (distance) C4'-P energy: -3.883 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -3.837 flat angles P-C4'-P energy: -3.299 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: 6, replica: 8 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -41.149745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.149745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.149745 (E_RNA) where: Base-Base interactions energy: -16.140 where: short stacking energy: -16.140 Base-Backbone interact. energy: -0.001 local terms energy: -25.008071 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -6.453 flat angles P-C4'-P energy: -4.585 tors. eta vs tors. theta energy: -2.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -40.879221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.879221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.879221 (E_RNA) where: Base-Base interactions energy: -20.047 where: short stacking energy: -9.125 Base-Backbone interact. energy: -0.316 local terms energy: -20.517032 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -6.237 flat angles P-C4'-P energy: -2.791 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: 8, replica: 4 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -32.023899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.023899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.023899 (E_RNA) where: Base-Base interactions energy: -12.229 where: short stacking energy: -12.229 Base-Backbone interact. energy: -0.150 local terms energy: -19.644225 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -5.576 flat angles C4'-P-C4' energy: -4.658 flat angles P-C4'-P energy: -3.708 tors. eta vs tors. theta energy: -0.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -33.566181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.566181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.566181 (E_RNA) where: Base-Base interactions energy: -10.807 where: short stacking energy: -10.807 Base-Backbone interact. energy: -0.030 local terms energy: -22.728942 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.954 flat angles P-C4'-P energy: -1.835 tors. eta vs tors. theta energy: -3.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -42.740337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.740337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.740337 (E_RNA) where: Base-Base interactions energy: -18.678 where: short stacking energy: -18.678 Base-Backbone interact. energy: -0.000 local terms energy: -24.062006 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.327 flat angles P-C4'-P energy: -2.674 tors. eta vs tors. theta energy: -3.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -49.652960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.652960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.652960 (E_RNA) where: Base-Base interactions energy: -23.309 where: short stacking energy: -23.309 Base-Backbone interact. energy: -0.000 local terms energy: -26.343620 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -5.153 flat angles C4'-P-C4' energy: -4.913 flat angles P-C4'-P energy: -4.397 tors. eta vs tors. theta energy: -5.821 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: 2, replica: 1 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -47.463153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.463153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.463153 (E_RNA) where: Base-Base interactions energy: -23.608 where: short stacking energy: -23.608 Base-Backbone interact. energy: -0.004 local terms energy: -23.850506 where: bonds (distance) C4'-P energy: -4.665 bonds (distance) P-C4' energy: -5.304 flat angles C4'-P-C4' energy: -5.075 flat angles P-C4'-P energy: -4.529 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: 3, replica: 6 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -47.494041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.494041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.494041 (E_RNA) where: Base-Base interactions energy: -20.841 where: short stacking energy: -20.841 Base-Backbone interact. energy: -0.007 local terms energy: -26.646886 where: bonds (distance) C4'-P energy: -4.992 bonds (distance) P-C4' energy: -4.877 flat angles C4'-P-C4' energy: -5.355 flat angles P-C4'-P energy: -5.352 tors. eta vs tors. theta energy: -6.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -43.956697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.956697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.956697 (E_RNA) where: Base-Base interactions energy: -17.735 where: short stacking energy: -17.735 Base-Backbone interact. energy: -0.000 local terms energy: -26.221976 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.193 flat angles P-C4'-P energy: -4.294 tors. eta vs tors. theta energy: -5.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -43.409745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.409745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.409745 (E_RNA) where: Base-Base interactions energy: -20.170 where: short stacking energy: -11.053 Base-Backbone interact. energy: -0.011 local terms energy: -23.229429 where: bonds (distance) C4'-P energy: -4.847 bonds (distance) P-C4' energy: -5.051 flat angles C4'-P-C4' energy: -5.981 flat angles P-C4'-P energy: -5.217 tors. eta vs tors. theta energy: -2.133 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: 9 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -33.000195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.000195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.000195 (E_RNA) where: Base-Base interactions energy: -11.728 where: short stacking energy: -10.394 Base-Backbone interact. energy: -0.091 local terms energy: -21.180618 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.443 flat angles P-C4'-P energy: -3.797 tors. eta vs tors. theta energy: 0.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -35.221652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.221652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.221652 (E_RNA) where: Base-Base interactions energy: -21.085 where: short stacking energy: -12.874 Base-Backbone interact. energy: -0.034 local terms energy: -14.101766 where: bonds (distance) C4'-P energy: -3.982 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -1.662 flat angles P-C4'-P energy: -4.259 tors. eta vs tors. theta energy: 0.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -46.112485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.112485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.112485 (E_RNA) where: Base-Base interactions energy: -21.565 where: short stacking energy: -21.565 Base-Backbone interact. energy: -0.000 local terms energy: -24.547021 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -4.989 flat angles P-C4'-P energy: -3.673 tors. eta vs tors. theta energy: -5.117 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: 2 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -37.796252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.796252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.796252 (E_RNA) where: Base-Base interactions energy: -16.388 where: short stacking energy: -16.388 Base-Backbone interact. energy: -0.029 local terms energy: -21.378818 where: bonds (distance) C4'-P energy: -4.532 bonds (distance) P-C4' energy: -3.815 flat angles C4'-P-C4' energy: -6.362 flat angles P-C4'-P energy: -4.615 tors. eta vs tors. theta energy: -2.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -31.423593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.423593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.423593 (E_RNA) where: Base-Base interactions energy: -12.501 where: short stacking energy: -7.060 Base-Backbone interact. energy: -0.003 local terms energy: -18.919248 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -5.748 flat angles C4'-P-C4' energy: -5.124 flat angles P-C4'-P energy: -1.205 tors. eta vs tors. theta energy: -1.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -48.910611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.910611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.910611 (E_RNA) where: Base-Base interactions energy: -24.193 where: short stacking energy: -24.193 Base-Backbone interact. energy: -0.017 local terms energy: -24.700154 where: bonds (distance) C4'-P energy: -4.619 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.844 flat angles P-C4'-P energy: -3.970 tors. eta vs tors. theta energy: -4.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -44.308923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.308923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.308923 (E_RNA) where: Base-Base interactions energy: -20.679 where: short stacking energy: -20.679 Base-Backbone interact. energy: -0.001 local terms energy: -23.628430 where: bonds (distance) C4'-P energy: -4.624 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -4.761 flat angles P-C4'-P energy: -4.085 tors. eta vs tors. theta energy: -4.196 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: 1 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -52.037115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.037115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.037115 (E_RNA) where: Base-Base interactions energy: -23.984 where: short stacking energy: -23.984 Base-Backbone interact. energy: -0.000 local terms energy: -28.052660 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -6.121 flat angles P-C4'-P energy: -4.367 tors. eta vs tors. theta energy: -6.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -39.977094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.977094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.977094 (E_RNA) where: Base-Base interactions energy: -16.053 where: short stacking energy: -16.053 Base-Backbone interact. energy: -0.000 local terms energy: -23.923842 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -6.464 flat angles C4'-P-C4' energy: -5.853 flat angles P-C4'-P energy: -3.012 tors. eta vs tors. theta energy: -3.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -48.561826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.561826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.561826 (E_RNA) where: Base-Base interactions energy: -22.778 where: short stacking energy: -22.778 Base-Backbone interact. energy: -0.000 local terms energy: -25.784140 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -6.038 flat angles P-C4'-P energy: -2.375 tors. eta vs tors. theta energy: -5.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -35.448537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.448537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.448537 (E_RNA) where: Base-Base interactions energy: -17.867 where: short stacking energy: -11.004 Base-Backbone interact. energy: -0.006 local terms energy: -17.576192 where: bonds (distance) C4'-P energy: -3.415 bonds (distance) P-C4' energy: -5.181 flat angles C4'-P-C4' energy: -5.340 flat angles P-C4'-P energy: -4.458 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: 7, replica: 9 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -32.982061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.982061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.982061 (E_RNA) where: Base-Base interactions energy: -10.822 where: short stacking energy: -10.822 Base-Backbone interact. energy: -0.000 local terms energy: -22.160028 where: bonds (distance) C4'-P energy: -3.982 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -4.042 flat angles P-C4'-P energy: -4.888 tors. eta vs tors. theta energy: -3.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -38.429930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.429930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.429930 (E_RNA) where: Base-Base interactions energy: -18.398 where: short stacking energy: -18.398 Base-Backbone interact. energy: -0.000 local terms energy: -20.031928 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.364 flat angles C4'-P-C4' energy: 1.234 flat angles P-C4'-P energy: -4.850 tors. eta vs tors. theta energy: -4.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -36.214338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.214338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.214338 (E_RNA) where: Base-Base interactions energy: -21.757 where: short stacking energy: -9.904 Base-Backbone interact. energy: 0.796 local terms energy: -15.253446 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -3.131 flat angles P-C4'-P energy: -2.005 tors. eta vs tors. theta energy: 2.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -34.711155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.711155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.711155 (E_RNA) where: Base-Base interactions energy: -16.684 where: short stacking energy: -9.552 Base-Backbone interact. energy: -0.114 local terms energy: -17.913749 where: bonds (distance) C4'-P energy: -4.044 bonds (distance) P-C4' energy: -3.705 flat angles C4'-P-C4' energy: -4.117 flat angles P-C4'-P energy: -4.781 tors. eta vs tors. theta energy: -1.267 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: 6 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -45.143807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.143807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.143807 (E_RNA) where: Base-Base interactions energy: -17.112 where: short stacking energy: -17.112 Base-Backbone interact. energy: -0.000 local terms energy: -28.031517 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -5.889 flat angles C4'-P-C4' energy: -5.797 flat angles P-C4'-P energy: -5.542 tors. eta vs tors. theta energy: -5.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -44.572262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.572262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.572262 (E_RNA) where: Base-Base interactions energy: -21.616 where: short stacking energy: -21.616 Base-Backbone interact. energy: -0.000 local terms energy: -22.956371 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.514 flat angles P-C4'-P energy: -3.797 tors. eta vs tors. theta energy: -2.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -46.325049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.325049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.325049 (E_RNA) where: Base-Base interactions energy: -19.875 where: short stacking energy: -19.875 Base-Backbone interact. energy: -0.093 local terms energy: -26.357485 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.976 flat angles P-C4'-P energy: -2.650 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: 4, replica: 1 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -42.059313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.059313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.059313 (E_RNA) where: Base-Base interactions energy: -16.637 where: short stacking energy: -16.637 Base-Backbone interact. energy: -0.000 local terms energy: -25.422593 where: bonds (distance) C4'-P energy: -4.764 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.622 flat angles P-C4'-P energy: -4.517 tors. eta vs tors. theta energy: -4.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -39.413917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.413917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.413917 (E_RNA) where: Base-Base interactions energy: -12.965 where: short stacking energy: -12.965 Base-Backbone interact. energy: -0.037 local terms energy: -26.412536 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.187 flat angles P-C4'-P energy: -3.498 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: 6, replica: 5 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -38.422190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.422190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.422190 (E_RNA) where: Base-Base interactions energy: -15.590 where: short stacking energy: -15.590 Base-Backbone interact. energy: -0.003 local terms energy: -22.829560 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.174 flat angles C4'-P-C4' energy: -5.733 flat angles P-C4'-P energy: -3.777 tors. eta vs tors. theta energy: -1.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -33.397083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.397083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.397083 (E_RNA) where: Base-Base interactions energy: -14.540 where: short stacking energy: -6.950 Base-Backbone interact. energy: -0.019 local terms energy: -18.837900 where: bonds (distance) C4'-P energy: -3.680 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -5.216 flat angles P-C4'-P energy: -3.185 tors. eta vs tors. theta energy: -0.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -29.971197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.971197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.971197 (E_RNA) where: Base-Base interactions energy: -12.208 where: short stacking energy: -12.208 Base-Backbone interact. energy: -0.012 local terms energy: -17.751236 where: bonds (distance) C4'-P energy: -4.122 bonds (distance) P-C4' energy: -1.895 flat angles C4'-P-C4' energy: -6.298 flat angles P-C4'-P energy: -3.699 tors. eta vs tors. theta energy: -1.737 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: 7 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -36.177502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.177502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.177502 (E_RNA) where: Base-Base interactions energy: -12.956 where: short stacking energy: -12.342 Base-Backbone interact. energy: -0.099 local terms energy: -23.122465 where: bonds (distance) C4'-P energy: -4.624 bonds (distance) P-C4' energy: -5.150 flat angles C4'-P-C4' energy: -5.476 flat angles P-C4'-P energy: -4.397 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: 10, replica: 4 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -33.582202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.582202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.582202 (E_RNA) where: Base-Base interactions energy: -12.849 where: short stacking energy: -8.887 Base-Backbone interact. energy: -0.037 local terms energy: -20.695881 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -5.181 flat angles C4'-P-C4' energy: -4.673 flat angles P-C4'-P energy: -3.591 tors. eta vs tors. theta energy: -1.671 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: 6 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -50.995136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.995136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.995136 (E_RNA) where: Base-Base interactions energy: -26.706 where: short stacking energy: -18.775 Base-Backbone interact. energy: -0.001 local terms energy: -24.287527 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -5.066 flat angles P-C4'-P energy: -4.868 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: 2, replica: 10 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -50.991528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.991528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.991528 (E_RNA) where: Base-Base interactions energy: -21.071 where: short stacking energy: -21.071 Base-Backbone interact. energy: -0.000 local terms energy: -29.921018 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.850 flat angles P-C4'-P energy: -4.986 tors. eta vs tors. theta energy: -5.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -43.008774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.008774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.008774 (E_RNA) where: Base-Base interactions energy: -20.773 where: short stacking energy: -20.773 Base-Backbone interact. energy: -0.011 local terms energy: -22.225613 where: bonds (distance) C4'-P energy: -4.554 bonds (distance) P-C4' energy: -5.153 flat angles C4'-P-C4' energy: -5.850 flat angles P-C4'-P energy: -2.465 tors. eta vs tors. theta energy: -4.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -46.875003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.875003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.875003 (E_RNA) where: Base-Base interactions energy: -23.932 where: short stacking energy: -15.828 Base-Backbone interact. energy: -0.000 local terms energy: -22.942416 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.364 flat angles C4'-P-C4' energy: -4.655 flat angles P-C4'-P energy: -3.793 tors. eta vs tors. theta energy: -2.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -39.799245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.799245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.799245 (E_RNA) where: Base-Base interactions energy: -15.014 where: short stacking energy: -15.014 Base-Backbone interact. energy: -0.000 local terms energy: -24.785170 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -4.059 flat angles P-C4'-P energy: -3.602 tors. eta vs tors. theta energy: -5.302 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: 5 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -39.845512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.845512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.845512 (E_RNA) where: Base-Base interactions energy: -19.845 where: short stacking energy: -11.308 Base-Backbone interact. energy: -0.182 local terms energy: -19.818532 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.407 flat angles P-C4'-P energy: -0.682 tors. eta vs tors. theta energy: -1.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -39.413439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.413439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.413439 (E_RNA) where: Base-Base interactions energy: -15.770 where: short stacking energy: -15.770 Base-Backbone interact. energy: -0.043 local terms energy: -23.600155 where: bonds (distance) C4'-P energy: -3.245 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.025 flat angles P-C4'-P energy: -3.405 tors. eta vs tors. theta energy: -4.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -41.848300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.848300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.848300 (E_RNA) where: Base-Base interactions energy: -15.210 where: short stacking energy: -15.210 Base-Backbone interact. energy: -0.003 local terms energy: -26.635232 where: bonds (distance) C4'-P energy: -4.632 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -4.713 flat angles P-C4'-P energy: -5.706 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: 9, replica: 7 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -39.061776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.061776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.061776 (E_RNA) where: Base-Base interactions energy: -15.917 where: short stacking energy: -15.917 Base-Backbone interact. energy: -0.000 local terms energy: -23.145047 where: bonds (distance) C4'-P energy: -3.505 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.891 flat angles P-C4'-P energy: -0.928 tors. eta vs tors. theta energy: -5.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -35.175875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.175875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.175875 (E_RNA) where: Base-Base interactions energy: -12.755 where: short stacking energy: -12.755 Base-Backbone interact. energy: -0.085 local terms energy: -22.335744 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -3.593 flat angles C4'-P-C4' energy: -5.290 flat angles P-C4'-P energy: -4.406 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: 1, replica: 10 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -51.178942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.178942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.178942 (E_RNA) where: Base-Base interactions energy: -31.261 where: short stacking energy: -9.554 Base-Backbone interact. energy: -0.239 local terms energy: -19.679860 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -4.695 flat angles P-C4'-P energy: -2.539 tors. eta vs tors. theta energy: -1.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -46.471323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.471323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.471323 (E_RNA) where: Base-Base interactions energy: -23.186 where: short stacking energy: -17.849 Base-Backbone interact. energy: -0.001 local terms energy: -23.284886 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -4.165 flat angles C4'-P-C4' energy: -3.610 flat angles P-C4'-P energy: -4.969 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: 3, replica: 3 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -53.286276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.286276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.286276 (E_RNA) where: Base-Base interactions energy: -23.748 where: short stacking energy: -23.748 Base-Backbone interact. energy: -0.000 local terms energy: -29.538551 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -5.669 flat angles P-C4'-P energy: -3.540 tors. eta vs tors. theta energy: -7.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -41.827022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.827022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.827022 (E_RNA) where: Base-Base interactions energy: -15.418 where: short stacking energy: -15.418 Base-Backbone interact. energy: -0.000 local terms energy: -26.408956 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.036 flat angles P-C4'-P energy: -3.592 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: 5, replica: 1 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -48.785536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.785536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.785536 (E_RNA) where: Base-Base interactions energy: -21.599 where: short stacking energy: -21.599 Base-Backbone interact. energy: -0.000 local terms energy: -27.186937 where: bonds (distance) C4'-P energy: -4.425 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.137 flat angles P-C4'-P energy: -4.973 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: 5 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -38.409783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.409783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.409783 (E_RNA) where: Base-Base interactions energy: -16.421 where: short stacking energy: -16.237 Base-Backbone interact. energy: -0.446 local terms energy: -21.542788 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.672 flat angles P-C4'-P energy: -2.832 tors. eta vs tors. theta energy: -1.095 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: 7, replica: 9 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -37.768661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.768661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.768661 (E_RNA) where: Base-Base interactions energy: -14.947 where: short stacking energy: -14.947 Base-Backbone interact. energy: -0.001 local terms energy: -22.820832 where: bonds (distance) C4'-P energy: -3.387 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.654 flat angles P-C4'-P energy: -3.880 tors. eta vs tors. theta energy: -3.940 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: 8, replica: 2 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -41.210542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.210542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.210542 (E_RNA) where: Base-Base interactions energy: -17.748 where: short stacking energy: -17.748 Base-Backbone interact. energy: -0.000 local terms energy: -23.462986 where: bonds (distance) C4'-P energy: -5.953 bonds (distance) P-C4' energy: -5.255 flat angles C4'-P-C4' energy: -4.761 flat angles P-C4'-P energy: -3.413 tors. eta vs tors. theta energy: -4.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -37.420345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.420345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.420345 (E_RNA) where: Base-Base interactions energy: -17.517 where: short stacking energy: -17.517 Base-Backbone interact. energy: -0.000 local terms energy: -19.903045 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -3.514 flat angles C4'-P-C4' energy: -5.506 flat angles P-C4'-P energy: -1.684 tors. eta vs tors. theta energy: -3.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -35.762217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.762217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.762217 (E_RNA) where: Base-Base interactions energy: -14.469 where: short stacking energy: -14.469 Base-Backbone interact. energy: -0.000 local terms energy: -21.293170 where: bonds (distance) C4'-P energy: -4.276 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -3.323 flat angles P-C4'-P energy: -2.470 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: 10 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -53.089591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.089591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.089591 (E_RNA) where: Base-Base interactions energy: -28.917 where: short stacking energy: -13.745 Base-Backbone interact. energy: -0.015 local terms energy: -24.157463 where: bonds (distance) C4'-P energy: -4.913 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -6.470 flat angles P-C4'-P energy: -3.691 tors. eta vs tors. theta energy: -2.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -41.693335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.693335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.693335 (E_RNA) where: Base-Base interactions energy: -19.072 where: short stacking energy: -14.076 Base-Backbone interact. energy: -0.081 local terms energy: -22.539931 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -5.058 flat angles P-C4'-P energy: -3.279 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: 3, replica: 6 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -47.599168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.599168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.599168 (E_RNA) where: Base-Base interactions energy: -19.352 where: short stacking energy: -16.355 Base-Backbone interact. energy: -0.000 local terms energy: -28.247289 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -6.662 flat angles P-C4'-P energy: -4.090 tors. eta vs tors. theta energy: -4.856 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: 8 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -43.730797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.730797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.730797 (E_RNA) where: Base-Base interactions energy: -21.262 where: short stacking energy: -10.349 Base-Backbone interact. energy: -0.008 local terms energy: -22.460621 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.643 flat angles P-C4'-P energy: -3.651 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: 5, replica: 1 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -37.600353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.600353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.600353 (E_RNA) where: Base-Base interactions energy: -13.583 where: short stacking energy: -13.583 Base-Backbone interact. energy: -0.016 local terms energy: -24.001107 where: bonds (distance) C4'-P energy: -5.953 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.083 flat angles P-C4'-P energy: -4.510 tors. eta vs tors. theta energy: -0.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -39.754992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.754992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.754992 (E_RNA) where: Base-Base interactions energy: -15.251 where: short stacking energy: -15.251 Base-Backbone interact. energy: -0.043 local terms energy: -24.461103 where: bonds (distance) C4'-P energy: -5.551 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -5.517 flat angles P-C4'-P energy: -4.646 tors. eta vs tors. theta energy: -2.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -36.265168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.265168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.265168 (E_RNA) where: Base-Base interactions energy: -16.166 where: short stacking energy: -16.166 Base-Backbone interact. energy: -0.040 local terms energy: -20.058587 where: bonds (distance) C4'-P energy: -4.525 bonds (distance) P-C4' energy: -3.576 flat angles C4'-P-C4' energy: -5.176 flat angles P-C4'-P energy: -3.990 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: 8, replica: 2 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -35.024537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.024537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.024537 (E_RNA) where: Base-Base interactions energy: -12.365 where: short stacking energy: -12.365 Base-Backbone interact. energy: -0.000 local terms energy: -22.659606 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -5.103 flat angles C4'-P-C4' energy: -4.172 flat angles P-C4'-P energy: -1.561 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: 9, replica: 4 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -32.630074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.630074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.630074 (E_RNA) where: Base-Base interactions energy: -12.966 where: short stacking energy: -12.966 Base-Backbone interact. energy: -0.164 local terms energy: -19.499825 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -5.970 flat angles C4'-P-C4' energy: -5.656 flat angles P-C4'-P energy: -3.004 tors. eta vs tors. theta energy: 0.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -31.652028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.652028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.652028 (E_RNA) where: Base-Base interactions energy: -10.975 where: short stacking energy: -10.975 Base-Backbone interact. energy: -0.000 local terms energy: -20.677002 where: bonds (distance) C4'-P energy: -4.471 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -4.007 flat angles P-C4'-P energy: -2.463 tors. eta vs tors. theta energy: -3.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -47.101490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.101490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.101490 (E_RNA) where: Base-Base interactions energy: -19.597 where: short stacking energy: -19.597 Base-Backbone interact. energy: -0.000 local terms energy: -27.504474 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.746 flat angles P-C4'-P energy: -4.425 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: 2, replica: 10 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -41.759359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.759359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.759359 (E_RNA) where: Base-Base interactions energy: -21.754 where: short stacking energy: -15.668 Base-Backbone interact. energy: -0.104 local terms energy: -19.901258 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -3.115 flat angles P-C4'-P energy: -4.997 tors. eta vs tors. theta energy: 0.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -44.120918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.120918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.120918 (E_RNA) where: Base-Base interactions energy: -18.620 where: short stacking energy: -18.620 Base-Backbone interact. energy: -0.008 local terms energy: -25.492751 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -4.888 flat angles P-C4'-P energy: -4.510 tors. eta vs tors. theta energy: -3.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -47.058559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.058559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.058559 (E_RNA) where: Base-Base interactions energy: -21.213 where: short stacking energy: -21.213 Base-Backbone interact. energy: -0.000 local terms energy: -25.845093 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -3.797 flat angles P-C4'-P energy: -3.594 tors. eta vs tors. theta energy: -5.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -48.336872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.336872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.336872 (E_RNA) where: Base-Base interactions energy: -21.168 where: short stacking energy: -21.168 Base-Backbone interact. energy: -0.000 local terms energy: -27.168603 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.128 flat angles C4'-P-C4' energy: -6.012 flat angles P-C4'-P energy: -3.696 tors. eta vs tors. theta energy: -5.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -35.425517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.425517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.425517 (E_RNA) where: Base-Base interactions energy: -12.880 where: short stacking energy: -12.880 Base-Backbone interact. energy: -0.002 local terms energy: -22.543960 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -4.855 flat angles P-C4'-P energy: -3.282 tors. eta vs tors. theta energy: -2.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -40.809650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.809650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.809650 (E_RNA) where: Base-Base interactions energy: -24.104 where: short stacking energy: -14.632 Base-Backbone interact. energy: -0.137 local terms energy: -16.569467 where: bonds (distance) C4'-P energy: -4.399 bonds (distance) P-C4' energy: -5.082 flat angles C4'-P-C4' energy: -4.821 flat angles P-C4'-P energy: -0.707 tors. eta vs tors. theta energy: -1.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -30.300436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.300436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.300436 (E_RNA) where: Base-Base interactions energy: -11.158 where: short stacking energy: -11.027 Base-Backbone interact. energy: -0.000 local terms energy: -19.142207 where: bonds (distance) C4'-P energy: -3.278 bonds (distance) P-C4' energy: -4.870 flat angles C4'-P-C4' energy: -4.996 flat angles P-C4'-P energy: -3.803 tors. eta vs tors. theta energy: -2.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -41.722574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.722574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.722574 (E_RNA) where: Base-Base interactions energy: -18.837 where: short stacking energy: -18.837 Base-Backbone interact. energy: -0.000 local terms energy: -22.885220 where: bonds (distance) C4'-P energy: -2.980 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.183 flat angles P-C4'-P energy: -4.023 tors. eta vs tors. theta energy: -4.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -35.608653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.608653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.608653 (E_RNA) where: Base-Base interactions energy: -20.775 where: short stacking energy: -9.392 Base-Backbone interact. energy: -0.047 local terms energy: -14.786573 where: bonds (distance) C4'-P energy: -4.242 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -3.856 flat angles P-C4'-P energy: -0.995 tors. eta vs tors. theta energy: 0.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -51.877443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.877443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.877443 (E_RNA) where: Base-Base interactions energy: -23.573 where: short stacking energy: -20.458 Base-Backbone interact. energy: -0.000 local terms energy: -28.304244 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -5.572 flat angles P-C4'-P energy: -4.047 tors. eta vs tors. theta energy: -5.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -50.025863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.025863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.025863 (E_RNA) where: Base-Base interactions energy: -24.317 where: short stacking energy: -24.317 Base-Backbone interact. energy: -0.000 local terms energy: -25.708733 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -4.401 flat angles P-C4'-P energy: -3.653 tors. eta vs tors. theta energy: -6.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -45.810997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.810997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.810997 (E_RNA) where: Base-Base interactions energy: -19.771 where: short stacking energy: -19.771 Base-Backbone interact. energy: -0.000 local terms energy: -26.040102 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.343 flat angles P-C4'-P energy: -3.021 tors. eta vs tors. theta energy: -4.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -41.253656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.253656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.253656 (E_RNA) where: Base-Base interactions energy: -19.877 where: short stacking energy: -14.576 Base-Backbone interact. energy: -0.000 local terms energy: -21.376862 where: bonds (distance) C4'-P energy: -2.794 bonds (distance) P-C4' energy: -5.131 flat angles C4'-P-C4' energy: -5.802 flat angles P-C4'-P energy: -4.156 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: 5, replica: 6 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -37.382677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.382677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.382677 (E_RNA) where: Base-Base interactions energy: -15.607 where: short stacking energy: -15.607 Base-Backbone interact. energy: -0.000 local terms energy: -21.775127 where: bonds (distance) C4'-P energy: -3.150 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -4.305 flat angles P-C4'-P energy: -4.961 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: 6, replica: 2 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -36.672202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.672202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.672202 (E_RNA) where: Base-Base interactions energy: -13.699 where: short stacking energy: -13.699 Base-Backbone interact. energy: -0.013 local terms energy: -22.960083 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -6.837 flat angles P-C4'-P energy: -1.639 tors. eta vs tors. theta energy: -3.224 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: 9 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -34.454477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.454477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.454477 (E_RNA) where: Base-Base interactions energy: -17.293 where: short stacking energy: -12.842 Base-Backbone interact. energy: -0.001 local terms energy: -17.160338 where: bonds (distance) C4'-P energy: -4.587 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -4.365 flat angles P-C4'-P energy: -0.557 tors. eta vs tors. theta energy: -1.455 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: 7 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -42.509209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.509209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.509209 (E_RNA) where: Base-Base interactions energy: -21.164 where: short stacking energy: -21.164 Base-Backbone interact. energy: -0.000 local terms energy: -21.345263 where: bonds (distance) C4'-P energy: -2.400 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -6.033 flat angles P-C4'-P energy: -2.909 tors. eta vs tors. theta energy: -4.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -40.978044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.978044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.978044 (E_RNA) where: Base-Base interactions energy: -18.040 where: short stacking energy: -18.040 Base-Backbone interact. energy: -0.015 local terms energy: -22.922190 where: bonds (distance) C4'-P energy: -3.725 bonds (distance) P-C4' energy: -5.770 flat angles C4'-P-C4' energy: -5.199 flat angles P-C4'-P energy: -4.039 tors. eta vs tors. theta energy: -4.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -33.614985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.614985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.614985 (E_RNA) where: Base-Base interactions energy: -15.751 where: short stacking energy: -10.892 Base-Backbone interact. energy: -0.009 local terms energy: -17.854372 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -5.531 flat angles P-C4'-P energy: -1.786 tors. eta vs tors. theta energy: -0.007 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: 8 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -50.378639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.378639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.378639 (E_RNA) where: Base-Base interactions energy: -28.793 where: short stacking energy: -16.367 Base-Backbone interact. energy: -0.090 local terms energy: -21.495153 where: bonds (distance) C4'-P energy: -4.603 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.150 flat angles P-C4'-P energy: -3.260 tors. eta vs tors. theta energy: -2.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -44.748898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.748898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.748898 (E_RNA) where: Base-Base interactions energy: -17.841 where: short stacking energy: -17.841 Base-Backbone interact. energy: -0.000 local terms energy: -26.907597 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -5.674 flat angles C4'-P-C4' energy: -6.111 flat angles P-C4'-P energy: -3.700 tors. eta vs tors. theta energy: -5.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -45.001203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.001203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.001203 (E_RNA) where: Base-Base interactions energy: -20.356 where: short stacking energy: -20.356 Base-Backbone interact. energy: -0.004 local terms energy: -24.641236 where: bonds (distance) C4'-P energy: -4.027 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.617 flat angles P-C4'-P energy: -4.354 tors. eta vs tors. theta energy: -4.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -36.961391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.961391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.961391 (E_RNA) where: Base-Base interactions energy: -14.096 where: short stacking energy: -14.096 Base-Backbone interact. energy: -0.015 local terms energy: -22.850491 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -5.620 flat angles P-C4'-P energy: -3.449 tors. eta vs tors. theta energy: -2.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -47.578808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.578808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.578808 (E_RNA) where: Base-Base interactions energy: -20.694 where: short stacking energy: -20.694 Base-Backbone interact. energy: -0.000 local terms energy: -26.884593 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -6.588 flat angles P-C4'-P energy: -2.073 tors. eta vs tors. theta energy: -6.669 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: 6, replica: 6 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -36.716278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.716278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.716278 (E_RNA) where: Base-Base interactions energy: -11.617 where: short stacking energy: -11.617 Base-Backbone interact. energy: -0.094 local terms energy: -25.005842 where: bonds (distance) C4'-P energy: -4.690 bonds (distance) P-C4' energy: -5.970 flat angles C4'-P-C4' energy: -6.063 flat angles P-C4'-P energy: -3.433 tors. eta vs tors. theta energy: -4.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -36.859450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.859450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.859450 (E_RNA) where: Base-Base interactions energy: -16.072 where: short stacking energy: -11.293 Base-Backbone interact. energy: -0.084 local terms energy: -20.703398 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.322 flat angles P-C4'-P energy: -2.407 tors. eta vs tors. theta energy: -0.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -35.940888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.940888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.940888 (E_RNA) where: Base-Base interactions energy: -11.642 where: short stacking energy: -11.642 Base-Backbone interact. energy: -0.001 local terms energy: -24.297808 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.435 flat angles P-C4'-P energy: -3.383 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: 9, replica: 4 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -35.480198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.480198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.480198 (E_RNA) where: Base-Base interactions energy: -18.091 where: short stacking energy: -18.091 Base-Backbone interact. energy: -0.000 local terms energy: -17.388756 where: bonds (distance) C4'-P energy: -3.675 bonds (distance) P-C4' energy: -3.342 flat angles C4'-P-C4' energy: -6.010 flat angles P-C4'-P energy: -0.320 tors. eta vs tors. theta energy: -4.041 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: 5 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -34.305117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.305117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.305117 (E_RNA) where: Base-Base interactions energy: -11.704 where: short stacking energy: -9.309 Base-Backbone interact. energy: -0.000 local terms energy: -22.601384 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -3.856 flat angles P-C4'-P energy: -3.259 tors. eta vs tors. theta energy: -3.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -45.757285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.757285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.757285 (E_RNA) where: Base-Base interactions energy: -20.926 where: short stacking energy: -20.926 Base-Backbone interact. energy: -0.102 local terms energy: -24.729771 where: bonds (distance) C4'-P energy: -5.349 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -2.832 flat angles P-C4'-P energy: -4.041 tors. eta vs tors. theta energy: -6.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -53.068740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.068740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.068740 (E_RNA) where: Base-Base interactions energy: -25.171 where: short stacking energy: -25.171 Base-Backbone interact. energy: -0.000 local terms energy: -27.898030 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -5.031 flat angles P-C4'-P energy: -2.556 tors. eta vs tors. theta energy: -7.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -42.349287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.349287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.349287 (E_RNA) where: Base-Base interactions energy: -16.714 where: short stacking energy: -16.714 Base-Backbone interact. energy: -0.000 local terms energy: -25.634842 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.478 flat angles P-C4'-P energy: -3.153 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: 4, replica: 2 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -39.730901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.730901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.730901 (E_RNA) where: Base-Base interactions energy: -17.674 where: short stacking energy: -17.674 Base-Backbone interact. energy: -0.037 local terms energy: -22.020027 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -3.920 flat angles P-C4'-P energy: -3.727 tors. eta vs tors. theta energy: -2.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -41.971270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.971270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.971270 (E_RNA) where: Base-Base interactions energy: -16.113 where: short stacking energy: -16.113 Base-Backbone interact. energy: -0.005 local terms energy: -25.853982 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -5.916 flat angles P-C4'-P energy: -3.766 tors. eta vs tors. theta energy: -3.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -36.924475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.924475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.924475 (E_RNA) where: Base-Base interactions energy: -16.188 where: short stacking energy: -16.188 Base-Backbone interact. energy: -0.008 local terms energy: -20.727990 where: bonds (distance) C4'-P energy: -4.682 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -2.774 flat angles P-C4'-P energy: -3.711 tors. eta vs tors. theta energy: -3.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -34.385984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.385984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.385984 (E_RNA) where: Base-Base interactions energy: -11.905 where: short stacking energy: -10.694 Base-Backbone interact. energy: -0.045 local terms energy: -22.436167 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -5.432 flat angles P-C4'-P energy: -4.059 tors. eta vs tors. theta energy: -2.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -43.444560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.444560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.444560 (E_RNA) where: Base-Base interactions energy: -20.595 where: short stacking energy: -20.595 Base-Backbone interact. energy: -0.000 local terms energy: -22.849656 where: bonds (distance) C4'-P energy: -4.223 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.322 flat angles P-C4'-P energy: -3.536 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: 7 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -35.010871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.010871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.010871 (E_RNA) where: Base-Base interactions energy: -13.126 where: short stacking energy: -13.126 Base-Backbone interact. energy: -0.001 local terms energy: -21.884337 where: bonds (distance) C4'-P energy: -3.068 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -6.067 flat angles P-C4'-P energy: -4.341 tors. eta vs tors. theta energy: -1.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -31.523065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.523065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.523065 (E_RNA) where: Base-Base interactions energy: -13.018 where: short stacking energy: -13.018 Base-Backbone interact. energy: -0.105 local terms energy: -18.400675 where: bonds (distance) C4'-P energy: -3.246 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -4.058 flat angles P-C4'-P energy: -4.166 tors. eta vs tors. theta energy: -0.972 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: 10 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -53.753150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.753150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.753150 (E_RNA) where: Base-Base interactions energy: -24.939 where: short stacking energy: -24.939 Base-Backbone interact. energy: -0.000 local terms energy: -28.814466 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -4.896 flat angles C4'-P-C4' energy: -6.588 flat angles P-C4'-P energy: -4.262 tors. eta vs tors. theta energy: -7.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -47.644761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.644761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.644761 (E_RNA) where: Base-Base interactions energy: -18.054 where: short stacking energy: -18.054 Base-Backbone interact. energy: -0.000 local terms energy: -29.591174 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -5.779 flat angles P-C4'-P energy: -4.777 tors. eta vs tors. theta energy: -8.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -40.078589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.078589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.078589 (E_RNA) where: Base-Base interactions energy: -15.865 where: short stacking energy: -13.885 Base-Backbone interact. energy: -0.091 local terms energy: -24.123402 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.712 flat angles C4'-P-C4' energy: -4.862 flat angles P-C4'-P energy: -4.613 tors. eta vs tors. theta energy: -3.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -39.366424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.366424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.366424 (E_RNA) where: Base-Base interactions energy: -16.578 where: short stacking energy: -16.578 Base-Backbone interact. energy: -0.001 local terms energy: -22.787563 where: bonds (distance) C4'-P energy: -4.214 bonds (distance) P-C4' energy: -4.896 flat angles C4'-P-C4' energy: -5.233 flat angles P-C4'-P energy: -4.743 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: 5, replica: 9 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -30.679107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.679107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.679107 (E_RNA) where: Base-Base interactions energy: -12.396 where: short stacking energy: -12.396 Base-Backbone interact. energy: -0.005 local terms energy: -18.278018 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -4.293 flat angles C4'-P-C4' energy: -3.696 flat angles P-C4'-P energy: -3.823 tors. eta vs tors. theta energy: -0.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -39.050128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.050128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.050128 (E_RNA) where: Base-Base interactions energy: -18.374 where: short stacking energy: -18.374 Base-Backbone interact. energy: -0.009 local terms energy: -20.666830 where: bonds (distance) C4'-P energy: -3.662 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.675 flat angles P-C4'-P energy: -3.135 tors. eta vs tors. theta energy: -2.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -39.110720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.110720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.110720 (E_RNA) where: Base-Base interactions energy: -19.437 where: short stacking energy: -19.437 Base-Backbone interact. energy: -0.000 local terms energy: -19.674128 where: bonds (distance) C4'-P energy: -4.631 bonds (distance) P-C4' energy: -0.663 flat angles C4'-P-C4' energy: -6.391 flat angles P-C4'-P energy: -2.919 tors. eta vs tors. theta energy: -5.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -36.650963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.650963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.650963 (E_RNA) where: Base-Base interactions energy: -13.563 where: short stacking energy: -13.563 Base-Backbone interact. energy: -0.000 local terms energy: -23.088456 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.970 flat angles P-C4'-P energy: -3.351 tors. eta vs tors. theta energy: -4.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -32.366630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.366630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.366630 (E_RNA) where: Base-Base interactions energy: -11.614 where: short stacking energy: -11.614 Base-Backbone interact. energy: -0.001 local terms energy: -20.751482 where: bonds (distance) C4'-P energy: -3.051 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -6.065 flat angles P-C4'-P energy: -2.452 tors. eta vs tors. theta energy: -2.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -32.080790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.080790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.080790 (E_RNA) where: Base-Base interactions energy: -10.162 where: short stacking energy: -10.162 Base-Backbone interact. energy: -0.024 local terms energy: -21.894734 where: bonds (distance) C4'-P energy: -4.205 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.414 flat angles P-C4'-P energy: -4.609 tors. eta vs tors. theta energy: -1.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -54.215365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.215365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.215365 (E_RNA) where: Base-Base interactions energy: -25.147 where: short stacking energy: -25.147 Base-Backbone interact. energy: -0.000 local terms energy: -29.068195 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -4.293 flat angles P-C4'-P energy: -5.114 tors. eta vs tors. theta energy: -7.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -44.855220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.855220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.855220 (E_RNA) where: Base-Base interactions energy: -22.543 where: short stacking energy: -22.543 Base-Backbone interact. energy: -0.000 local terms energy: -22.311884 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -4.764 flat angles P-C4'-P energy: -2.664 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: 3, replica: 8 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -45.856391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.856391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.856391 (E_RNA) where: Base-Base interactions energy: -18.622 where: short stacking energy: -18.622 Base-Backbone interact. energy: -0.000 local terms energy: -27.234691 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -6.250 flat angles P-C4'-P energy: -2.109 tors. eta vs tors. theta energy: -7.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -43.349531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.349531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.349531 (E_RNA) where: Base-Base interactions energy: -20.006 where: short stacking energy: -20.006 Base-Backbone interact. energy: -0.000 local terms energy: -23.343452 where: bonds (distance) C4'-P energy: -4.996 bonds (distance) P-C4' energy: -5.469 flat angles C4'-P-C4' energy: -5.894 flat angles P-C4'-P energy: -3.562 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: 5, replica: 3 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -42.213966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.213966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.213966 (E_RNA) where: Base-Base interactions energy: -15.690 where: short stacking energy: -12.572 Base-Backbone interact. energy: -0.001 local terms energy: -26.523183 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.721 flat angles P-C4'-P energy: -4.926 tors. eta vs tors. theta energy: -2.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -44.752645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.752645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.752645 (E_RNA) where: Base-Base interactions energy: -17.318 where: short stacking energy: -12.026 Base-Backbone interact. energy: -0.000 local terms energy: -27.434654 where: bonds (distance) C4'-P energy: -4.727 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.462 flat angles P-C4'-P energy: -3.801 tors. eta vs tors. theta energy: -5.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -44.725136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.725136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.725136 (E_RNA) where: Base-Base interactions energy: -21.084 where: short stacking energy: -21.084 Base-Backbone interact. energy: -0.000 local terms energy: -23.640839 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -4.165 flat angles C4'-P-C4' energy: -6.455 flat angles P-C4'-P energy: -3.283 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: 5 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -32.574448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.574448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.574448 (E_RNA) where: Base-Base interactions energy: -9.960 where: short stacking energy: -7.858 Base-Backbone interact. energy: -0.044 local terms energy: -22.570327 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.304 flat angles P-C4'-P energy: -4.340 tors. eta vs tors. theta energy: -1.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -43.288444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.288444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.288444 (E_RNA) where: Base-Base interactions energy: -15.815 where: short stacking energy: -15.815 Base-Backbone interact. energy: -0.000 local terms energy: -27.473754 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -4.989 flat angles P-C4'-P energy: -4.394 tors. eta vs tors. theta energy: -4.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -30.464184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.464184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.464184 (E_RNA) where: Base-Base interactions energy: -7.916 where: short stacking energy: -7.916 Base-Backbone interact. energy: -0.004 local terms energy: -22.543845 where: bonds (distance) C4'-P energy: -4.877 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.497 flat angles P-C4'-P energy: -3.258 tors. eta vs tors. theta energy: -3.925 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: 10 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -50.138677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.138677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.138677 (E_RNA) where: Base-Base interactions energy: -23.336 where: short stacking energy: -12.622 Base-Backbone interact. energy: -0.000 local terms energy: -26.803120 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.696 flat angles P-C4'-P energy: -4.941 tors. eta vs tors. theta energy: -3.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -53.335560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.335560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.335560 (E_RNA) where: Base-Base interactions energy: -25.527 where: short stacking energy: -25.527 Base-Backbone interact. energy: -0.000 local terms energy: -27.808816 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.482 flat angles P-C4'-P energy: -5.005 tors. eta vs tors. theta energy: -5.308 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: 9 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -37.926083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.926083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.926083 (E_RNA) where: Base-Base interactions energy: -16.968 where: short stacking energy: -4.726 Base-Backbone interact. energy: -0.033 local terms energy: -20.924319 where: bonds (distance) C4'-P energy: -4.027 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -6.454 flat angles P-C4'-P energy: -3.509 tors. eta vs tors. theta energy: -0.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -46.061949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.061949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.061949 (E_RNA) where: Base-Base interactions energy: -20.761 where: short stacking energy: -20.761 Base-Backbone interact. energy: -0.000 local terms energy: -25.300689 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -3.559 flat angles P-C4'-P energy: -4.966 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: 5, replica: 3 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -42.071828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.071828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.071828 (E_RNA) where: Base-Base interactions energy: -18.213 where: short stacking energy: -15.971 Base-Backbone interact. energy: -0.072 local terms energy: -23.787157 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -5.423 flat angles P-C4'-P energy: -3.562 tors. eta vs tors. theta energy: -3.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -43.666472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.666472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.666472 (E_RNA) where: Base-Base interactions energy: -20.833 where: short stacking energy: -20.833 Base-Backbone interact. energy: -0.002 local terms energy: -22.831600 where: bonds (distance) C4'-P energy: -3.821 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.291 flat angles P-C4'-P energy: -2.121 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: 5 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -35.416492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.416492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.416492 (E_RNA) where: Base-Base interactions energy: -14.981 where: short stacking energy: -13.115 Base-Backbone interact. energy: -0.005 local terms energy: -20.430764 where: bonds (distance) C4'-P energy: -4.525 bonds (distance) P-C4' energy: -4.883 flat angles C4'-P-C4' energy: -5.195 flat angles P-C4'-P energy: -3.376 tors. eta vs tors. theta energy: -2.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -33.072112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.072112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.072112 (E_RNA) where: Base-Base interactions energy: -13.019 where: short stacking energy: -13.019 Base-Backbone interact. energy: -0.007 local terms energy: -20.046240 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.274 flat angles P-C4'-P energy: -3.581 tors. eta vs tors. theta energy: -0.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -33.387654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.387654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.387654 (E_RNA) where: Base-Base interactions energy: -12.880 where: short stacking energy: -12.880 Base-Backbone interact. energy: -0.000 local terms energy: -20.507479 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -6.914 flat angles C4'-P-C4' energy: -4.458 flat angles P-C4'-P energy: -3.195 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: 10, replica: 6 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -31.066307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.066307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.066307 (E_RNA) where: Base-Base interactions energy: -12.292 where: short stacking energy: -12.292 Base-Backbone interact. energy: -0.054 local terms energy: -18.720938 where: bonds (distance) C4'-P energy: -4.665 bonds (distance) P-C4' energy: -4.585 flat angles C4'-P-C4' energy: -4.065 flat angles P-C4'-P energy: -4.293 tors. eta vs tors. theta energy: -1.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -51.867511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.867511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.867511 (E_RNA) where: Base-Base interactions energy: -27.855 where: short stacking energy: -19.084 Base-Backbone interact. energy: -0.002 local terms energy: -24.010498 where: bonds (distance) C4'-P energy: -6.147 bonds (distance) P-C4' energy: -5.699 flat angles C4'-P-C4' energy: -5.527 flat angles P-C4'-P energy: -0.582 tors. eta vs tors. theta energy: -6.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -53.083214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.083214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.083214 (E_RNA) where: Base-Base interactions energy: -24.692 where: short stacking energy: -24.692 Base-Backbone interact. energy: -0.000 local terms energy: -28.391618 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.150 flat angles P-C4'-P energy: -3.707 tors. eta vs tors. theta energy: -6.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -41.439945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.439945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.439945 (E_RNA) where: Base-Base interactions energy: -15.335 where: short stacking energy: -15.335 Base-Backbone interact. energy: -0.096 local terms energy: -26.008855 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -4.834 flat angles P-C4'-P energy: -4.579 tors. eta vs tors. theta energy: -5.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -49.132013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.132013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.132013 (E_RNA) where: Base-Base interactions energy: -21.661 where: short stacking energy: -21.661 Base-Backbone interact. energy: -0.000 local terms energy: -27.470859 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -5.025 flat angles P-C4'-P energy: -4.616 tors. eta vs tors. theta energy: -6.294 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: 5, replica: 8 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -33.883786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.883786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.883786 (E_RNA) where: Base-Base interactions energy: -14.373 where: short stacking energy: -7.793 Base-Backbone interact. energy: -0.036 local terms energy: -19.474706 where: bonds (distance) C4'-P energy: -4.719 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -4.759 flat angles P-C4'-P energy: -3.355 tors. eta vs tors. theta energy: 0.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -38.781669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.781669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.781669 (E_RNA) where: Base-Base interactions energy: -15.391 where: short stacking energy: -15.391 Base-Backbone interact. energy: -0.051 local terms energy: -23.339623 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -6.100 flat angles C4'-P-C4' energy: -6.420 flat angles P-C4'-P energy: -3.486 tors. eta vs tors. theta energy: -1.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -40.716771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.716771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.716771 (E_RNA) where: Base-Base interactions energy: -19.152 where: short stacking energy: -11.683 Base-Backbone interact. energy: -0.346 local terms energy: -21.219026 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -5.371 flat angles C4'-P-C4' energy: -6.593 flat angles P-C4'-P energy: 0.063 tors. eta vs tors. theta energy: -3.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -40.545057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.545057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.545057 (E_RNA) where: Base-Base interactions energy: -16.490 where: short stacking energy: -16.490 Base-Backbone interact. energy: -0.000 local terms energy: -24.055311 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.327 flat angles C4'-P-C4' energy: -4.918 flat angles P-C4'-P energy: -3.161 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: 9, replica: 1 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -34.178892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.178892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.178892 (E_RNA) where: Base-Base interactions energy: -16.204 where: short stacking energy: -16.204 Base-Backbone interact. energy: -0.011 local terms energy: -17.964392 where: bonds (distance) C4'-P energy: -3.833 bonds (distance) P-C4' energy: -3.846 flat angles C4'-P-C4' energy: -4.538 flat angles P-C4'-P energy: -3.142 tors. eta vs tors. theta energy: -2.605 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: 6 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -27.984215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.984215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.984215 (E_RNA) where: Base-Base interactions energy: -9.558 where: short stacking energy: -8.676 Base-Backbone interact. energy: -0.047 local terms energy: -18.379455 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -4.195 flat angles C4'-P-C4' energy: -6.125 flat angles P-C4'-P energy: -1.670 tors. eta vs tors. theta energy: -0.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -54.848472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.848472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.848472 (E_RNA) where: Base-Base interactions energy: -26.888 where: short stacking energy: -26.888 Base-Backbone interact. energy: -0.000 local terms energy: -27.959988 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.803 flat angles P-C4'-P energy: -2.529 tors. eta vs tors. theta energy: -7.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -42.919701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.919701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.919701 (E_RNA) where: Base-Base interactions energy: -18.970 where: short stacking energy: -18.970 Base-Backbone interact. energy: -0.009 local terms energy: -23.941101 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -4.873 flat angles P-C4'-P energy: -3.355 tors. eta vs tors. theta energy: -3.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -46.994152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.994152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.994152 (E_RNA) where: Base-Base interactions energy: -21.089 where: short stacking energy: -21.089 Base-Backbone interact. energy: -0.090 local terms energy: -25.814762 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -5.560 flat angles C4'-P-C4' energy: -6.255 flat angles P-C4'-P energy: -5.154 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: 4, replica: 9 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -44.710128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.710128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.710128 (E_RNA) where: Base-Base interactions energy: -20.842 where: short stacking energy: -19.472 Base-Backbone interact. energy: -0.000 local terms energy: -23.867695 where: bonds (distance) C4'-P energy: -2.794 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.654 flat angles P-C4'-P energy: -3.239 tors. eta vs tors. theta energy: -5.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -34.954299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.954299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.954299 (E_RNA) where: Base-Base interactions energy: -15.558 where: short stacking energy: -15.558 Base-Backbone interact. energy: -0.123 local terms energy: -19.272546 where: bonds (distance) C4'-P energy: -4.450 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -6.362 flat angles P-C4'-P energy: -4.149 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: 6, replica: 8 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -41.098176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.098176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.098176 (E_RNA) where: Base-Base interactions energy: -15.335 where: short stacking energy: -15.335 Base-Backbone interact. energy: -0.000 local terms energy: -25.763313 where: bonds (distance) C4'-P energy: -5.253 bonds (distance) P-C4' energy: -5.597 flat angles C4'-P-C4' energy: -3.512 flat angles P-C4'-P energy: -3.596 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: 7, replica: 7 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -38.153539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.153539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.153539 (E_RNA) where: Base-Base interactions energy: -14.902 where: short stacking energy: -14.902 Base-Backbone interact. energy: -0.000 local terms energy: -23.251078 where: bonds (distance) C4'-P energy: -4.508 bonds (distance) P-C4' energy: -4.849 flat angles C4'-P-C4' energy: -6.127 flat angles P-C4'-P energy: -3.986 tors. eta vs tors. theta energy: -3.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -38.313942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.313942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.313942 (E_RNA) where: Base-Base interactions energy: -17.666 where: short stacking energy: -17.210 Base-Backbone interact. energy: -0.003 local terms energy: -20.644951 where: bonds (distance) C4'-P energy: -1.398 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -4.965 flat angles P-C4'-P energy: -3.483 tors. eta vs tors. theta energy: -3.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -29.373644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.373644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.373644 (E_RNA) where: Base-Base interactions energy: -9.318 where: short stacking energy: -9.318 Base-Backbone interact. energy: -0.043 local terms energy: -20.012415 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.262 flat angles P-C4'-P energy: -0.884 tors. eta vs tors. theta energy: -1.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -36.896390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.896390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.896390 (E_RNA) where: Base-Base interactions energy: -16.137 where: short stacking energy: -11.962 Base-Backbone interact. energy: -0.000 local terms energy: -20.759274 where: bonds (distance) C4'-P energy: -4.690 bonds (distance) P-C4' energy: -3.374 flat angles C4'-P-C4' energy: -4.956 flat angles P-C4'-P energy: -2.646 tors. eta vs tors. theta energy: -5.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -49.630576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.630576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.630576 (E_RNA) where: Base-Base interactions energy: -21.429 where: short stacking energy: -21.429 Base-Backbone interact. energy: -0.000 local terms energy: -28.201971 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -6.676 flat angles P-C4'-P energy: -3.700 tors. eta vs tors. theta energy: -5.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -50.890248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.890248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.890248 (E_RNA) where: Base-Base interactions energy: -24.158 where: short stacking energy: -24.158 Base-Backbone interact. energy: -0.000 local terms energy: -26.732460 where: bonds (distance) C4'-P energy: -4.060 bonds (distance) P-C4' energy: -6.202 flat angles C4'-P-C4' energy: -5.837 flat angles P-C4'-P energy: -5.080 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: 3, replica: 10 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -44.641734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.641734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.641734 (E_RNA) where: Base-Base interactions energy: -18.827 where: short stacking energy: -18.827 Base-Backbone interact. energy: -0.087 local terms energy: -25.727578 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -5.767 flat angles P-C4'-P energy: -3.958 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: 4, replica: 9 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -47.873441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.873441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.873441 (E_RNA) where: Base-Base interactions energy: -21.468 where: short stacking energy: -21.468 Base-Backbone interact. energy: -0.000 local terms energy: -26.405402 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.255 flat angles P-C4'-P energy: -4.293 tors. eta vs tors. theta energy: -5.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -48.853756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.853756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.853756 (E_RNA) where: Base-Base interactions energy: -23.481 where: short stacking energy: -19.042 Base-Backbone interact. energy: -0.095 local terms energy: -25.278236 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -6.023 flat angles P-C4'-P energy: -3.258 tors. eta vs tors. theta energy: -4.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -36.272643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.272643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.272643 (E_RNA) where: Base-Base interactions energy: -15.186 where: short stacking energy: -15.186 Base-Backbone interact. energy: -0.051 local terms energy: -21.035955 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -6.484 flat angles P-C4'-P energy: -0.720 tors. eta vs tors. theta energy: -2.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -41.298763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.298763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.298763 (E_RNA) where: Base-Base interactions energy: -18.936 where: short stacking energy: -18.936 Base-Backbone interact. energy: -0.000 local terms energy: -22.362989 where: bonds (distance) C4'-P energy: -3.113 bonds (distance) P-C4' energy: -5.826 flat angles C4'-P-C4' energy: -5.292 flat angles P-C4'-P energy: -4.784 tors. eta vs tors. theta energy: -3.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -37.220713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.220713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.220713 (E_RNA) where: Base-Base interactions energy: -16.984 where: short stacking energy: -16.984 Base-Backbone interact. energy: -0.001 local terms energy: -20.235457 where: bonds (distance) C4'-P energy: -2.826 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.002 flat angles P-C4'-P energy: -3.189 tors. eta vs tors. theta energy: -3.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -30.313134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.313134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.313134 (E_RNA) where: Base-Base interactions energy: -7.294 where: short stacking energy: -7.294 Base-Backbone interact. energy: -0.000 local terms energy: -23.018974 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -5.948 flat angles C4'-P-C4' energy: -5.084 flat angles P-C4'-P energy: -2.958 tors. eta vs tors. theta energy: -3.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -33.869175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.869175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.869175 (E_RNA) where: Base-Base interactions energy: -13.548 where: short stacking energy: -11.637 Base-Backbone interact. energy: -0.014 local terms energy: -20.307637 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -5.285 flat angles P-C4'-P energy: -0.648 tors. eta vs tors. theta energy: -2.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -53.092699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.092699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.092699 (E_RNA) where: Base-Base interactions energy: -25.017 where: short stacking energy: -25.017 Base-Backbone interact. energy: -0.000 local terms energy: -28.075734 where: bonds (distance) C4'-P energy: -5.179 bonds (distance) P-C4' energy: -6.396 flat angles C4'-P-C4' energy: -5.480 flat angles P-C4'-P energy: -3.350 tors. eta vs tors. theta energy: -7.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -40.520879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.520879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.520879 (E_RNA) where: Base-Base interactions energy: -14.627 where: short stacking energy: -14.627 Base-Backbone interact. energy: -0.044 local terms energy: -25.850085 where: bonds (distance) C4'-P energy: -4.665 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -6.108 flat angles P-C4'-P energy: -3.925 tors. eta vs tors. theta energy: -4.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -39.250665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.250665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.250665 (E_RNA) where: Base-Base interactions energy: -14.973 where: short stacking energy: -14.973 Base-Backbone interact. energy: -0.021 local terms energy: -24.257050 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.198 flat angles P-C4'-P energy: -4.249 tors. eta vs tors. theta energy: -1.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -40.076979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.076979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.076979 (E_RNA) where: Base-Base interactions energy: -20.162 where: short stacking energy: -9.906 Base-Backbone interact. energy: -0.003 local terms energy: -19.911722 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -4.463 flat angles C4'-P-C4' energy: -5.812 flat angles P-C4'-P energy: -4.706 tors. eta vs tors. theta energy: 0.935 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: 5, replica: 7 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -39.807756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.807756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.807756 (E_RNA) where: Base-Base interactions energy: -17.856 where: short stacking energy: -17.856 Base-Backbone interact. energy: -0.002 local terms energy: -21.949592 where: bonds (distance) C4'-P energy: -2.968 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.867 flat angles P-C4'-P energy: -3.812 tors. eta vs tors. theta energy: -2.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -35.775821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.775821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.775821 (E_RNA) where: Base-Base interactions energy: -14.517 where: short stacking energy: -10.548 Base-Backbone interact. energy: -0.512 local terms energy: -20.747352 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -4.589 flat angles C4'-P-C4' energy: -2.671 flat angles P-C4'-P energy: -5.066 tors. eta vs tors. theta energy: -2.085 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: 7, replica: 5 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -33.322947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.322947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.322947 (E_RNA) where: Base-Base interactions energy: -12.468 where: short stacking energy: -7.736 Base-Backbone interact. energy: -0.137 local terms energy: -20.717663 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -5.373 flat angles P-C4'-P energy: -2.691 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: 8 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -31.745914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.745914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.745914 (E_RNA) where: Base-Base interactions energy: -14.304 where: short stacking energy: -14.304 Base-Backbone interact. energy: -0.001 local terms energy: -17.441294 where: bonds (distance) C4'-P energy: -3.990 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -4.883 flat angles P-C4'-P energy: -2.114 tors. eta vs tors. theta energy: -0.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -38.201535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.201535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.201535 (E_RNA) where: Base-Base interactions energy: -16.624 where: short stacking energy: -16.624 Base-Backbone interact. energy: -0.100 local terms energy: -21.477821 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -5.462 flat angles P-C4'-P energy: -4.040 tors. eta vs tors. theta energy: -2.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -34.562536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.562536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.562536 (E_RNA) where: Base-Base interactions energy: -12.958 where: short stacking energy: -7.772 Base-Backbone interact. energy: -0.094 local terms energy: -21.510755 where: bonds (distance) C4'-P energy: -3.191 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -5.183 flat angles P-C4'-P energy: -3.542 tors. eta vs tors. theta energy: -3.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -50.979301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.979301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.979301 (E_RNA) where: Base-Base interactions energy: -23.541 where: short stacking energy: -23.541 Base-Backbone interact. energy: -0.000 local terms energy: -27.437855 where: bonds (distance) C4'-P energy: -4.657 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -4.879 flat angles P-C4'-P energy: -4.744 tors. eta vs tors. theta energy: -6.719 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: 9 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -46.690649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.690649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.690649 (E_RNA) where: Base-Base interactions energy: -21.337 where: short stacking energy: -21.337 Base-Backbone interact. energy: -0.001 local terms energy: -25.352362 where: bonds (distance) C4'-P energy: -4.132 bonds (distance) P-C4' energy: -7.130 flat angles C4'-P-C4' energy: -6.277 flat angles P-C4'-P energy: -2.440 tors. eta vs tors. theta energy: -5.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -52.037307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.037307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.037307 (E_RNA) where: Base-Base interactions energy: -22.690 where: short stacking energy: -22.690 Base-Backbone interact. energy: -0.000 local terms energy: -29.347439 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -5.839 flat angles C4'-P-C4' energy: -6.557 flat angles P-C4'-P energy: -3.986 tors. eta vs tors. theta energy: -7.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -39.843333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.843333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.843333 (E_RNA) where: Base-Base interactions energy: -19.203 where: short stacking energy: -12.405 Base-Backbone interact. energy: -0.007 local terms energy: -20.633437 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -4.445 flat angles C4'-P-C4' energy: -3.673 flat angles P-C4'-P energy: -3.511 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: 5, replica: 10 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -39.348063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.348063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.348063 (E_RNA) where: Base-Base interactions energy: -17.100 where: short stacking energy: -17.100 Base-Backbone interact. energy: -0.008 local terms energy: -22.240532 where: bonds (distance) C4'-P energy: -4.089 bonds (distance) P-C4' energy: -5.248 flat angles C4'-P-C4' energy: -4.181 flat angles P-C4'-P energy: -4.279 tors. eta vs tors. theta energy: -4.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -43.856756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.856756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.856756 (E_RNA) where: Base-Base interactions energy: -23.803 where: short stacking energy: -13.177 Base-Backbone interact. energy: -0.097 local terms energy: -19.956758 where: bonds (distance) C4'-P energy: -4.727 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -2.217 flat angles P-C4'-P energy: -3.907 tors. eta vs tors. theta energy: -2.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -42.869787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.869787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.869787 (E_RNA) where: Base-Base interactions energy: -20.685 where: short stacking energy: -20.685 Base-Backbone interact. energy: -0.000 local terms energy: -22.184505 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -0.786 flat angles C4'-P-C4' energy: -4.612 flat angles P-C4'-P energy: -4.353 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: 1 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -34.712452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.712452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.712452 (E_RNA) where: Base-Base interactions energy: -14.203 where: short stacking energy: -9.580 Base-Backbone interact. energy: -0.020 local terms energy: -20.488925 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -3.969 flat angles P-C4'-P energy: -2.846 tors. eta vs tors. theta energy: -1.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -32.602398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.602398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.602398 (E_RNA) where: Base-Base interactions energy: -12.290 where: short stacking energy: -4.441 Base-Backbone interact. energy: -0.038 local terms energy: -20.274219 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -4.951 flat angles P-C4'-P energy: -5.260 tors. eta vs tors. theta energy: 0.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -30.765556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.765556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.765556 (E_RNA) where: Base-Base interactions energy: -12.136 where: short stacking energy: -8.814 Base-Backbone interact. energy: -0.070 local terms energy: -18.559468 where: bonds (distance) C4'-P energy: -3.608 bonds (distance) P-C4' energy: -4.880 flat angles C4'-P-C4' energy: -5.563 flat angles P-C4'-P energy: -2.741 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: 1, replica: 9 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -43.180285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.180285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.180285 (E_RNA) where: Base-Base interactions energy: -20.172 where: short stacking energy: -20.172 Base-Backbone interact. energy: -0.000 local terms energy: -23.008379 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -5.164 flat angles P-C4'-P energy: -1.558 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: 2, replica: 2 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -50.014730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.014730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.014730 (E_RNA) where: Base-Base interactions energy: -24.306 where: short stacking energy: -24.306 Base-Backbone interact. energy: -0.000 local terms energy: -25.709029 where: bonds (distance) C4'-P energy: -5.252 bonds (distance) P-C4' energy: -4.519 flat angles C4'-P-C4' energy: -6.135 flat angles P-C4'-P energy: -1.838 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: 3, replica: 7 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -46.875040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.875040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.875040 (E_RNA) where: Base-Base interactions energy: -21.646 where: short stacking energy: -21.646 Base-Backbone interact. energy: -0.000 local terms energy: -25.228814 where: bonds (distance) C4'-P energy: -3.849 bonds (distance) P-C4' energy: -6.128 flat angles C4'-P-C4' energy: -6.461 flat angles P-C4'-P energy: -4.306 tors. eta vs tors. theta energy: -4.485 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: 486 Temperature: 1.050000 Total energy: -43.491566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.491566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.491566 (E_RNA) where: Base-Base interactions energy: -16.083 where: short stacking energy: -16.083 Base-Backbone interact. energy: -0.000 local terms energy: -27.408172 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -6.685 flat angles P-C4'-P energy: -3.310 tors. eta vs tors. theta energy: -6.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -41.655753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.655753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.655753 (E_RNA) where: Base-Base interactions energy: -14.488 where: short stacking energy: -14.488 Base-Backbone interact. energy: -0.002 local terms energy: -27.165552 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.538 flat angles P-C4'-P energy: -2.899 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: 6, replica: 10 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -35.192771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.192771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.192771 (E_RNA) where: Base-Base interactions energy: -14.626 where: short stacking energy: -14.626 Base-Backbone interact. energy: -0.157 local terms energy: -20.409727 where: bonds (distance) C4'-P energy: -3.415 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.721 flat angles P-C4'-P energy: -3.469 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: 7, replica: 1 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -38.355076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.355076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.355076 (E_RNA) where: Base-Base interactions energy: -14.851 where: short stacking energy: -14.851 Base-Backbone interact. energy: -0.000 local terms energy: -23.504267 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -6.914 flat angles C4'-P-C4' energy: -4.880 flat angles P-C4'-P energy: -1.807 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: 8, replica: 4 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -35.500271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.500271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.500271 (E_RNA) where: Base-Base interactions energy: -17.049 where: short stacking energy: -12.561 Base-Backbone interact. energy: -0.089 local terms energy: -18.362161 where: bonds (distance) C4'-P energy: -2.880 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -5.324 flat angles P-C4'-P energy: -3.418 tors. eta vs tors. theta energy: -1.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -32.901696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.901696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.901696 (E_RNA) where: Base-Base interactions energy: -13.185 where: short stacking energy: -13.185 Base-Backbone interact. energy: -0.001 local terms energy: -19.715564 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -5.298 flat angles C4'-P-C4' energy: -2.440 flat angles P-C4'-P energy: -2.992 tors. eta vs tors. theta energy: -3.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -30.225529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.225529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.225529 (E_RNA) where: Base-Base interactions energy: -10.073 where: short stacking energy: -10.073 Base-Backbone interact. energy: -0.166 local terms energy: -19.986442 where: bonds (distance) C4'-P energy: -4.624 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -6.309 flat angles P-C4'-P energy: -3.966 tors. eta vs tors. theta energy: 1.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -45.801565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.801565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.801565 (E_RNA) where: Base-Base interactions energy: -19.890 where: short stacking energy: -19.890 Base-Backbone interact. energy: -0.058 local terms energy: -25.853156 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.817 flat angles P-C4'-P energy: -2.519 tors. eta vs tors. theta energy: -5.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -39.638676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.638676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.638676 (E_RNA) where: Base-Base interactions energy: -14.782 where: short stacking energy: -11.347 Base-Backbone interact. energy: -0.001 local terms energy: -24.855635 where: bonds (distance) C4'-P energy: -4.453 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.234 flat angles P-C4'-P energy: -4.589 tors. eta vs tors. theta energy: -2.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -36.139428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.139428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.139428 (E_RNA) where: Base-Base interactions energy: -13.236 where: short stacking energy: -13.936 Base-Backbone interact. energy: -0.021 local terms energy: -22.882267 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -5.876 flat angles P-C4'-P energy: -4.851 tors. eta vs tors. theta energy: -0.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -38.578442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.578442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.578442 (E_RNA) where: Base-Base interactions energy: -15.114 where: short stacking energy: -15.114 Base-Backbone interact. energy: -0.000 local terms energy: -23.463835 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -5.815 flat angles P-C4'-P energy: -3.228 tors. eta vs tors. theta energy: -2.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -41.785839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.785839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.785839 (E_RNA) where: Base-Base interactions energy: -18.427 where: short stacking energy: -18.427 Base-Backbone interact. energy: -0.001 local terms energy: -23.358340 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -5.082 flat angles C4'-P-C4' energy: -5.620 flat angles P-C4'-P energy: -2.910 tors. eta vs tors. theta energy: -4.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -44.200302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.200302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.200302 (E_RNA) where: Base-Base interactions energy: -22.120 where: short stacking energy: -22.120 Base-Backbone interact. energy: -0.000 local terms energy: -22.080327 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -3.929 flat angles C4'-P-C4' energy: -4.242 flat angles P-C4'-P energy: -4.445 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: 7, replica: 10 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -30.477353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.477353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.477353 (E_RNA) where: Base-Base interactions energy: -8.539 where: short stacking energy: -8.539 Base-Backbone interact. energy: -0.061 local terms energy: -21.877224 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -6.168 flat angles P-C4'-P energy: -4.625 tors. eta vs tors. theta energy: -0.080 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: 6 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -36.671635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.671635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.671635 (E_RNA) where: Base-Base interactions energy: -13.699 where: short stacking energy: -13.699 Base-Backbone interact. energy: -0.002 local terms energy: -22.970467 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.677 flat angles P-C4'-P energy: -3.012 tors. eta vs tors. theta energy: -1.173 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: 4 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -41.576422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.576422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.576422 (E_RNA) where: Base-Base interactions energy: -16.164 where: short stacking energy: -16.164 Base-Backbone interact. energy: -0.002 local terms energy: -25.410008 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.641 flat angles C4'-P-C4' energy: -5.370 flat angles P-C4'-P energy: -3.395 tors. eta vs tors. theta energy: -5.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -32.337057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.337057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.337057 (E_RNA) where: Base-Base interactions energy: -13.243 where: short stacking energy: -13.243 Base-Backbone interact. energy: -0.000 local terms energy: -19.093704 where: bonds (distance) C4'-P energy: -4.409 bonds (distance) P-C4' energy: -5.763 flat angles C4'-P-C4' energy: -4.839 flat angles P-C4'-P energy: -3.472 tors. eta vs tors. theta energy: -0.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -46.971091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.971091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.971091 (E_RNA) where: Base-Base interactions energy: -20.206 where: short stacking energy: -20.206 Base-Backbone interact. energy: -0.000 local terms energy: -26.765171 where: bonds (distance) C4'-P energy: -6.577 bonds (distance) P-C4' energy: -4.790 flat angles C4'-P-C4' energy: -5.179 flat angles P-C4'-P energy: -3.035 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: 2, replica: 9 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -41.623792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.623792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.623792 (E_RNA) where: Base-Base interactions energy: -17.477 where: short stacking energy: -17.477 Base-Backbone interact. energy: -0.000 local terms energy: -24.146455 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -5.934 flat angles P-C4'-P energy: -3.537 tors. eta vs tors. theta energy: -2.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -42.386438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.386438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.386438 (E_RNA) where: Base-Base interactions energy: -18.080 where: short stacking energy: -13.681 Base-Backbone interact. energy: -0.630 local terms energy: -23.675668 where: bonds (distance) C4'-P energy: -4.992 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -4.744 flat angles P-C4'-P energy: -3.653 tors. eta vs tors. theta energy: -3.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -40.973312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.973312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.973312 (E_RNA) where: Base-Base interactions energy: -20.185 where: short stacking energy: -15.752 Base-Backbone interact. energy: -0.000 local terms energy: -20.788588 where: bonds (distance) C4'-P energy: -4.983 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.232 flat angles P-C4'-P energy: -1.659 tors. eta vs tors. theta energy: -2.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -36.918489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.918489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.918489 (E_RNA) where: Base-Base interactions energy: -17.410 where: short stacking energy: -10.627 Base-Backbone interact. energy: -0.011 local terms energy: -19.496871 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -5.107 flat angles C4'-P-C4' energy: -4.954 flat angles P-C4'-P energy: -3.146 tors. eta vs tors. theta energy: -0.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -37.846113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.846113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.846113 (E_RNA) where: Base-Base interactions energy: -15.840 where: short stacking energy: -15.840 Base-Backbone interact. energy: -0.008 local terms energy: -21.998881 where: bonds (distance) C4'-P energy: -2.728 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -4.803 flat angles P-C4'-P energy: -4.215 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: 7, replica: 6 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -32.806751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.806751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.806751 (E_RNA) where: Base-Base interactions energy: -11.170 where: short stacking energy: -11.170 Base-Backbone interact. energy: -0.066 local terms energy: -21.570914 where: bonds (distance) C4'-P energy: -3.932 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -3.907 flat angles P-C4'-P energy: -4.775 tors. eta vs tors. theta energy: -2.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -32.548869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.548869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.548869 (E_RNA) where: Base-Base interactions energy: -13.118 where: short stacking energy: -13.118 Base-Backbone interact. energy: -0.038 local terms energy: -19.392635 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -3.913 flat angles C4'-P-C4' energy: -6.217 flat angles P-C4'-P energy: -3.525 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: 9, replica: 8 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -39.343871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.343871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.343871 (E_RNA) where: Base-Base interactions energy: -25.286 where: short stacking energy: -9.178 Base-Backbone interact. energy: -0.006 local terms energy: -14.051961 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -3.061 flat angles C4'-P-C4' energy: -3.463 flat angles P-C4'-P energy: -1.003 tors. eta vs tors. theta energy: -1.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -48.008562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.008562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.008562 (E_RNA) where: Base-Base interactions energy: -22.798 where: short stacking energy: -22.798 Base-Backbone interact. energy: -0.000 local terms energy: -25.210545 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -5.435 flat angles C4'-P-C4' energy: -5.177 flat angles P-C4'-P energy: -1.856 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: 1, replica: 7 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -50.717041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.717041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.717041 (E_RNA) where: Base-Base interactions energy: -23.288 where: short stacking energy: -19.857 Base-Backbone interact. energy: -0.000 local terms energy: -27.428976 where: bonds (distance) C4'-P energy: -4.868 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.083 flat angles P-C4'-P energy: -5.174 tors. eta vs tors. theta energy: -4.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -53.855472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.855472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.855472 (E_RNA) where: Base-Base interactions energy: -26.496 where: short stacking energy: -26.496 Base-Backbone interact. energy: -0.000 local terms energy: -27.359453 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -4.986 flat angles P-C4'-P energy: -3.237 tors. eta vs tors. theta energy: -7.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -42.727143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.727143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.727143 (E_RNA) where: Base-Base interactions energy: -16.395 where: short stacking energy: -16.395 Base-Backbone interact. energy: -0.000 local terms energy: -26.331809 where: bonds (distance) C4'-P energy: -3.593 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.585 flat angles P-C4'-P energy: -4.529 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: 4, replica: 1 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -50.902541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.902541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.902541 (E_RNA) where: Base-Base interactions energy: -32.033 where: short stacking energy: -18.460 Base-Backbone interact. energy: -0.005 local terms energy: -18.864411 where: bonds (distance) C4'-P energy: -3.990 bonds (distance) P-C4' energy: -5.469 flat angles C4'-P-C4' energy: -4.530 flat angles P-C4'-P energy: -1.102 tors. eta vs tors. theta energy: -3.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -40.912401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.912401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.912401 (E_RNA) where: Base-Base interactions energy: -16.311 where: short stacking energy: -16.311 Base-Backbone interact. energy: -0.000 local terms energy: -24.601749 where: bonds (distance) C4'-P energy: -4.019 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -5.998 flat angles P-C4'-P energy: -2.300 tors. eta vs tors. theta energy: -5.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -34.265164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.265164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.265164 (E_RNA) where: Base-Base interactions energy: -12.783 where: short stacking energy: -12.783 Base-Backbone interact. energy: -0.001 local terms energy: -21.481324 where: bonds (distance) C4'-P energy: -3.957 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.462 flat angles P-C4'-P energy: -3.322 tors. eta vs tors. theta energy: -0.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -36.813287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.813287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.813287 (E_RNA) where: Base-Base interactions energy: -14.753 where: short stacking energy: -2.858 Base-Backbone interact. energy: -0.000 local terms energy: -22.060159 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.236 flat angles P-C4'-P energy: -3.567 tors. eta vs tors. theta energy: 1.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -31.438915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.438915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.438915 (E_RNA) where: Base-Base interactions energy: -6.960 where: short stacking energy: -4.807 Base-Backbone interact. energy: -0.097 local terms energy: -24.382235 where: bonds (distance) C4'-P energy: -6.023 bonds (distance) P-C4' energy: -6.209 flat angles C4'-P-C4' energy: -5.632 flat angles P-C4'-P energy: -5.755 tors. eta vs tors. theta energy: -0.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -31.194300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.194300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.194300 (E_RNA) where: Base-Base interactions energy: -17.195 where: short stacking energy: -9.864 Base-Backbone interact. energy: 0.507 local terms energy: -14.506375 where: bonds (distance) C4'-P energy: -5.535 bonds (distance) P-C4' energy: -3.684 flat angles C4'-P-C4' energy: -3.021 flat angles P-C4'-P energy: -0.632 tors. eta vs tors. theta energy: -1.635 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: 4 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -37.627832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.627832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.627832 (E_RNA) where: Base-Base interactions energy: -18.557 where: short stacking energy: -18.557 Base-Backbone interact. energy: -0.006 local terms energy: -19.064619 where: bonds (distance) C4'-P energy: -2.988 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.963 flat angles P-C4'-P energy: -0.182 tors. eta vs tors. theta energy: -4.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -50.497309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.497309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.497309 (E_RNA) where: Base-Base interactions energy: -25.353 where: short stacking energy: -25.353 Base-Backbone interact. energy: -0.000 local terms energy: -25.144114 where: bonds (distance) C4'-P energy: -3.921 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -6.316 flat angles P-C4'-P energy: -4.736 tors. eta vs tors. theta energy: -5.547 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: 5 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -43.130953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.130953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.130953 (E_RNA) where: Base-Base interactions energy: -21.400 where: short stacking energy: -21.400 Base-Backbone interact. energy: -0.018 local terms energy: -21.712638 where: bonds (distance) C4'-P energy: -3.543 bonds (distance) P-C4' energy: -5.371 flat angles C4'-P-C4' energy: -5.481 flat angles P-C4'-P energy: -3.054 tors. eta vs tors. theta energy: -4.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -50.952549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.952549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.952549 (E_RNA) where: Base-Base interactions energy: -31.019 where: short stacking energy: -18.583 Base-Backbone interact. energy: -0.000 local terms energy: -19.933399 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -5.113 flat angles C4'-P-C4' energy: -4.889 flat angles P-C4'-P energy: -0.572 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: 4, replica: 9 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -38.917723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.917723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.917723 (E_RNA) where: Base-Base interactions energy: -19.345 where: short stacking energy: -8.738 Base-Backbone interact. energy: -0.000 local terms energy: -19.572820 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.049 flat angles P-C4'-P energy: -3.085 tors. eta vs tors. theta energy: 1.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -39.751853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.751853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.751853 (E_RNA) where: Base-Base interactions energy: -17.253 where: short stacking energy: -11.701 Base-Backbone interact. energy: -0.000 local terms energy: -22.498621 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -5.353 flat angles P-C4'-P energy: -0.012 tors. eta vs tors. theta energy: -4.767 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: 2 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -42.740568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.740568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.740568 (E_RNA) where: Base-Base interactions energy: -20.601 where: short stacking energy: -17.526 Base-Backbone interact. energy: -0.000 local terms energy: -22.138918 where: bonds (distance) C4'-P energy: -2.942 bonds (distance) P-C4' energy: -5.840 flat angles C4'-P-C4' energy: -4.497 flat angles P-C4'-P energy: -4.703 tors. eta vs tors. theta energy: -4.157 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: 10 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -36.414916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.414916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.414916 (E_RNA) where: Base-Base interactions energy: -15.737 where: short stacking energy: -15.737 Base-Backbone interact. energy: -0.056 local terms energy: -20.621327 where: bonds (distance) C4'-P energy: -4.106 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.306 flat angles P-C4'-P energy: -3.232 tors. eta vs tors. theta energy: -0.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -33.853930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.853930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.853930 (E_RNA) where: Base-Base interactions energy: -12.094 where: short stacking energy: -12.094 Base-Backbone interact. energy: 0.332 local terms energy: -22.092633 where: bonds (distance) C4'-P energy: -4.657 bonds (distance) P-C4' energy: -5.920 flat angles C4'-P-C4' energy: -3.811 flat angles P-C4'-P energy: -3.910 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: 9, replica: 4 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -31.375828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.375828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.375828 (E_RNA) where: Base-Base interactions energy: -16.104 where: short stacking energy: -5.151 Base-Backbone interact. energy: -0.080 local terms energy: -15.191889 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -1.709 flat angles P-C4'-P energy: -2.265 tors. eta vs tors. theta energy: 1.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -36.327470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.327470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.327470 (E_RNA) where: Base-Base interactions energy: -16.702 where: short stacking energy: -16.702 Base-Backbone interact. energy: -0.000 local terms energy: -19.625786 where: bonds (distance) C4'-P energy: -4.471 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -4.420 flat angles P-C4'-P energy: 0.481 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: 1, replica: 7 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -51.263618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.263618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.263618 (E_RNA) where: Base-Base interactions energy: -22.446 where: short stacking energy: -22.446 Base-Backbone interact. energy: -0.000 local terms energy: -28.817352 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.548 flat angles P-C4'-P energy: -4.796 tors. eta vs tors. theta energy: -6.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -45.926771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.926771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.926771 (E_RNA) where: Base-Base interactions energy: -22.151 where: short stacking energy: -22.151 Base-Backbone interact. energy: -0.000 local terms energy: -23.775898 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -4.621 flat angles C4'-P-C4' energy: -5.814 flat angles P-C4'-P energy: -3.547 tors. eta vs tors. theta energy: -3.672 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: 3, replica: 5 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -41.457150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.457150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.457150 (E_RNA) where: Base-Base interactions energy: -18.562 where: short stacking energy: -8.596 Base-Backbone interact. energy: -0.062 local terms energy: -22.833352 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -4.638 flat angles C4'-P-C4' energy: -5.437 flat angles P-C4'-P energy: -4.823 tors. eta vs tors. theta energy: -2.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -33.544568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.544568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.544568 (E_RNA) where: Base-Base interactions energy: -13.678 where: short stacking energy: -13.678 Base-Backbone interact. energy: -0.043 local terms energy: -19.823888 where: bonds (distance) C4'-P energy: -4.114 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -4.938 flat angles P-C4'-P energy: -3.779 tors. eta vs tors. theta energy: -0.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -44.411588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.411588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.411588 (E_RNA) where: Base-Base interactions energy: -21.876 where: short stacking energy: -21.876 Base-Backbone interact. energy: -0.000 local terms energy: -22.535232 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -4.306 flat angles C4'-P-C4' energy: -5.453 flat angles P-C4'-P energy: -2.322 tors. eta vs tors. theta energy: -4.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -45.120762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.120762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.120762 (E_RNA) where: Base-Base interactions energy: -21.342 where: short stacking energy: -21.342 Base-Backbone interact. energy: -0.000 local terms energy: -23.779169 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -5.576 flat angles C4'-P-C4' energy: -5.555 flat angles P-C4'-P energy: -3.738 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: 7, replica: 2 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -38.600592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.600592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.600592 (E_RNA) where: Base-Base interactions energy: -25.078 where: short stacking energy: -9.027 Base-Backbone interact. energy: -0.684 local terms energy: -12.838734 where: bonds (distance) C4'-P energy: -4.337 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: 0.397 flat angles P-C4'-P energy: -2.709 tors. eta vs tors. theta energy: 0.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -37.310916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.310916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.310916 (E_RNA) where: Base-Base interactions energy: -14.562 where: short stacking energy: -14.489 Base-Backbone interact. energy: -0.097 local terms energy: -22.652678 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -5.956 flat angles C4'-P-C4' energy: -6.348 flat angles P-C4'-P energy: -2.827 tors. eta vs tors. theta energy: -2.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -34.743561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.743561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.743561 (E_RNA) where: Base-Base interactions energy: -13.148 where: short stacking energy: -13.148 Base-Backbone interact. energy: -0.130 local terms energy: -21.466528 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -4.188 flat angles P-C4'-P energy: -4.182 tors. eta vs tors. theta energy: -0.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -37.821843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.821843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.821843 (E_RNA) where: Base-Base interactions energy: -16.834 where: short stacking energy: -16.834 Base-Backbone interact. energy: -0.008 local terms energy: -20.979800 where: bonds (distance) C4'-P energy: -3.932 bonds (distance) P-C4' energy: -3.972 flat angles C4'-P-C4' energy: -4.938 flat angles P-C4'-P energy: -1.642 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: 1 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -55.564852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.564852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.564852 (E_RNA) where: Base-Base interactions energy: -26.451 where: short stacking energy: -26.451 Base-Backbone interact. energy: -0.000 local terms energy: -29.114288 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -4.665 flat angles P-C4'-P energy: -4.700 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: 2, replica: 7 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -41.407837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.407837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.407837 (E_RNA) where: Base-Base interactions energy: -16.616 where: short stacking energy: -12.254 Base-Backbone interact. energy: -1.053 local terms energy: -23.739445 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -4.969 flat angles P-C4'-P energy: -4.086 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: 3, replica: 5 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -41.231284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.231284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.231284 (E_RNA) where: Base-Base interactions energy: -17.135 where: short stacking energy: -17.135 Base-Backbone interact. energy: -0.027 local terms energy: -24.069335 where: bonds (distance) C4'-P energy: -4.703 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -5.042 flat angles P-C4'-P energy: -4.189 tors. eta vs tors. theta energy: -4.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -37.897091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.897091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.897091 (E_RNA) where: Base-Base interactions energy: -16.429 where: short stacking energy: -16.429 Base-Backbone interact. energy: -0.018 local terms energy: -21.450055 where: bonds (distance) C4'-P energy: -3.770 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -4.207 flat angles P-C4'-P energy: -2.268 tors. eta vs tors. theta energy: -4.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -39.003112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.003112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.003112 (E_RNA) where: Base-Base interactions energy: -13.607 where: short stacking energy: -13.607 Base-Backbone interact. energy: -0.000 local terms energy: -25.396229 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -2.662 flat angles P-C4'-P energy: -4.856 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: 6, replica: 6 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -38.707575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.707575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.707575 (E_RNA) where: Base-Base interactions energy: -17.592 where: short stacking energy: -17.592 Base-Backbone interact. energy: -0.000 local terms energy: -21.115337 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -4.506 flat angles C4'-P-C4' energy: -4.770 flat angles P-C4'-P energy: -4.087 tors. eta vs tors. theta energy: -1.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -36.932663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.932663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.932663 (E_RNA) where: Base-Base interactions energy: -14.878 where: short stacking energy: -14.878 Base-Backbone interact. energy: -0.000 local terms energy: -22.054293 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -3.852 flat angles P-C4'-P energy: -3.716 tors. eta vs tors. theta energy: -3.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -41.189205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.189205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.189205 (E_RNA) where: Base-Base interactions energy: -15.620 where: short stacking energy: -15.620 Base-Backbone interact. energy: -0.000 local terms energy: -25.568978 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -6.701 flat angles P-C4'-P energy: -3.238 tors. eta vs tors. theta energy: -4.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -38.022196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.022196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.022196 (E_RNA) where: Base-Base interactions energy: -17.268 where: short stacking energy: -17.268 Base-Backbone interact. energy: -0.000 local terms energy: -20.754123 where: bonds (distance) C4'-P energy: -2.297 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -3.626 flat angles P-C4'-P energy: -3.025 tors. eta vs tors. theta energy: -5.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -34.445292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.445292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.445292 (E_RNA) where: Base-Base interactions energy: -15.244 where: short stacking energy: -15.244 Base-Backbone interact. energy: -0.000 local terms energy: -19.201457 where: bonds (distance) C4'-P energy: -4.647 bonds (distance) P-C4' energy: -4.162 flat angles C4'-P-C4' energy: -4.349 flat angles P-C4'-P energy: -3.963 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: 1 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -43.048258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.048258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.048258 (E_RNA) where: Base-Base interactions energy: -16.336 where: short stacking energy: -16.336 Base-Backbone interact. energy: -0.011 local terms energy: -26.701264 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -6.044 flat angles P-C4'-P energy: -4.432 tors. eta vs tors. theta energy: -3.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -49.106236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.106236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.106236 (E_RNA) where: Base-Base interactions energy: -23.860 where: short stacking energy: -23.817 Base-Backbone interact. energy: -0.009 local terms energy: -25.237298 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.604 flat angles C4'-P-C4' energy: -5.477 flat angles P-C4'-P energy: -3.910 tors. eta vs tors. theta energy: -4.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -46.903292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.903292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.903292 (E_RNA) where: Base-Base interactions energy: -25.400 where: short stacking energy: -25.005 Base-Backbone interact. energy: -0.001 local terms energy: -21.502560 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -4.937 flat angles P-C4'-P energy: -1.157 tors. eta vs tors. theta energy: -3.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -42.855197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.855197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.855197 (E_RNA) where: Base-Base interactions energy: -18.260 where: short stacking energy: -18.260 Base-Backbone interact. energy: -0.000 local terms energy: -24.595438 where: bonds (distance) C4'-P energy: -5.295 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.638 flat angles P-C4'-P energy: -2.506 tors. eta vs tors. theta energy: -4.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -43.666885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.666885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.666885 (E_RNA) where: Base-Base interactions energy: -18.718 where: short stacking energy: -18.718 Base-Backbone interact. energy: -0.000 local terms energy: -24.949068 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -4.347 flat angles P-C4'-P energy: -3.651 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: 6, replica: 4 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -37.914757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.914757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.914757 (E_RNA) where: Base-Base interactions energy: -16.802 where: short stacking energy: -16.802 Base-Backbone interact. energy: 0.192 local terms energy: -21.304239 where: bonds (distance) C4'-P energy: -4.226 bonds (distance) P-C4' energy: -5.057 flat angles C4'-P-C4' energy: -5.158 flat angles P-C4'-P energy: -4.078 tors. eta vs tors. theta energy: -2.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -34.767579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.767579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.767579 (E_RNA) where: Base-Base interactions energy: -15.510 where: short stacking energy: -15.510 Base-Backbone interact. energy: -0.018 local terms energy: -19.239609 where: bonds (distance) C4'-P energy: -4.098 bonds (distance) P-C4' energy: -4.745 flat angles C4'-P-C4' energy: -5.667 flat angles P-C4'-P energy: -2.591 tors. eta vs tors. theta energy: -2.138 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: 8, replica: 8 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -34.152336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.152336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.152336 (E_RNA) where: Base-Base interactions energy: -13.807 where: short stacking energy: -11.880 Base-Backbone interact. energy: -0.000 local terms energy: -20.344765 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -4.156 flat angles C4'-P-C4' energy: -4.497 flat angles P-C4'-P energy: -4.527 tors. eta vs tors. theta energy: -1.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -34.402171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.402171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.402171 (E_RNA) where: Base-Base interactions energy: -15.079 where: short stacking energy: -15.079 Base-Backbone interact. energy: -0.231 local terms energy: -19.091423 where: bonds (distance) C4'-P energy: -4.371 bonds (distance) P-C4' energy: -5.177 flat angles C4'-P-C4' energy: -5.133 flat angles P-C4'-P energy: -2.495 tors. eta vs tors. theta energy: -1.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -38.734511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.734511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.734511 (E_RNA) where: Base-Base interactions energy: -13.511 where: short stacking energy: -13.511 Base-Backbone interact. energy: -0.000 local terms energy: -25.223134 where: bonds (distance) C4'-P energy: -6.098 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -5.136 flat angles P-C4'-P energy: -3.784 tors. eta vs tors. theta energy: -3.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -53.695131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.695131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.695131 (E_RNA) where: Base-Base interactions energy: -27.442 where: short stacking energy: -27.442 Base-Backbone interact. energy: -0.000 local terms energy: -26.253259 where: bonds (distance) C4'-P energy: -5.435 bonds (distance) P-C4' energy: -4.681 flat angles C4'-P-C4' energy: -5.600 flat angles P-C4'-P energy: -3.656 tors. eta vs tors. theta energy: -6.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -47.921045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.921045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.921045 (E_RNA) where: Base-Base interactions energy: -21.613 where: short stacking energy: -21.613 Base-Backbone interact. energy: -0.000 local terms energy: -26.308046 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.114 flat angles P-C4'-P energy: -1.727 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: 3, replica: 9 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -51.796229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.796229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.796229 (E_RNA) where: Base-Base interactions energy: -24.355 where: short stacking energy: -24.355 Base-Backbone interact. energy: -0.000 local terms energy: -27.440736 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.005 flat angles P-C4'-P energy: -2.652 tors. eta vs tors. theta energy: -7.070 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: 4, replica: 7 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -45.832518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.832518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.832518 (E_RNA) where: Base-Base interactions energy: -21.990 where: short stacking energy: -21.990 Base-Backbone interact. energy: -0.001 local terms energy: -23.841701 where: bonds (distance) C4'-P energy: -3.484 bonds (distance) P-C4' energy: -5.833 flat angles C4'-P-C4' energy: -5.101 flat angles P-C4'-P energy: -5.127 tors. eta vs tors. theta energy: -4.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -43.646137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.646137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.646137 (E_RNA) where: Base-Base interactions energy: -18.799 where: short stacking energy: -18.799 Base-Backbone interact. energy: -0.000 local terms energy: -24.847260 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.323 flat angles P-C4'-P energy: -2.632 tors. eta vs tors. theta energy: -5.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -36.419363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.419363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.419363 (E_RNA) where: Base-Base interactions energy: -18.795 where: short stacking energy: -16.633 Base-Backbone interact. energy: -0.003 local terms energy: -17.621105 where: bonds (distance) C4'-P energy: -4.607 bonds (distance) P-C4' energy: -5.315 flat angles C4'-P-C4' energy: -3.442 flat angles P-C4'-P energy: -3.398 tors. eta vs tors. theta energy: -0.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -41.374933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.374933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.374933 (E_RNA) where: Base-Base interactions energy: -20.901 where: short stacking energy: -20.901 Base-Backbone interact. energy: -0.000 local terms energy: -20.473812 where: bonds (distance) C4'-P energy: -3.283 bonds (distance) P-C4' energy: -3.245 flat angles C4'-P-C4' energy: -5.020 flat angles P-C4'-P energy: -3.293 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: 8, replica: 6 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -37.848674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.848674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.848674 (E_RNA) where: Base-Base interactions energy: -13.675 where: short stacking energy: -13.675 Base-Backbone interact. energy: -0.000 local terms energy: -24.173477 where: bonds (distance) C4'-P energy: -4.603 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -6.433 flat angles P-C4'-P energy: -4.468 tors. eta vs tors. theta energy: -2.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -37.997721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.997721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.997721 (E_RNA) where: Base-Base interactions energy: -19.544 where: short stacking energy: -12.664 Base-Backbone interact. energy: -0.028 local terms energy: -18.425990 where: bonds (distance) C4'-P energy: -4.454 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -0.941 flat angles P-C4'-P energy: -3.295 tors. eta vs tors. theta energy: -4.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -39.079792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.079792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.079792 (E_RNA) where: Base-Base interactions energy: -11.643 where: short stacking energy: -10.542 Base-Backbone interact. energy: -0.001 local terms energy: -27.435654 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -3.890 flat angles P-C4'-P energy: -4.232 tors. eta vs tors. theta energy: -7.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -53.575822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.575822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.575822 (E_RNA) where: Base-Base interactions energy: -25.885 where: short stacking energy: -25.885 Base-Backbone interact. energy: -0.000 local terms energy: -27.690504 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -6.331 flat angles P-C4'-P energy: -3.313 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: 2, replica: 9 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -39.824556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.824556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.824556 (E_RNA) where: Base-Base interactions energy: -15.201 where: short stacking energy: -15.201 Base-Backbone interact. energy: -0.003 local terms energy: -24.621197 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -5.797 flat angles P-C4'-P energy: -2.222 tors. eta vs tors. theta energy: -5.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -42.131000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.131000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.131000 (E_RNA) where: Base-Base interactions energy: -19.375 where: short stacking energy: -19.375 Base-Backbone interact. energy: -0.000 local terms energy: -22.755513 where: bonds (distance) C4'-P energy: -4.118 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -4.575 flat angles P-C4'-P energy: -3.878 tors. eta vs tors. theta energy: -4.199 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: 4 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -38.927755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.927755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.927755 (E_RNA) where: Base-Base interactions energy: -16.709 where: short stacking energy: -16.709 Base-Backbone interact. energy: -0.015 local terms energy: -22.204016 where: bonds (distance) C4'-P energy: -4.735 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -4.788 flat angles P-C4'-P energy: -2.981 tors. eta vs tors. theta energy: -3.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -38.409164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.409164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.409164 (E_RNA) where: Base-Base interactions energy: -19.326 where: short stacking energy: -19.326 Base-Backbone interact. energy: -0.000 local terms energy: -19.083376 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -4.852 flat angles C4'-P-C4' energy: -5.791 flat angles P-C4'-P energy: -0.531 tors. eta vs tors. theta energy: -3.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -41.118820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.118820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.118820 (E_RNA) where: Base-Base interactions energy: -17.683 where: short stacking energy: -14.994 Base-Backbone interact. energy: 0.095 local terms energy: -23.531042 where: bonds (distance) C4'-P energy: -5.724 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -5.241 flat angles P-C4'-P energy: -3.497 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: 10 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -43.332152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.332152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.332152 (E_RNA) where: Base-Base interactions energy: -15.824 where: short stacking energy: -15.824 Base-Backbone interact. energy: -0.004 local terms energy: -27.504552 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -5.921 flat angles P-C4'-P energy: -5.252 tors. eta vs tors. theta energy: -4.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -40.862456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.862456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.862456 (E_RNA) where: Base-Base interactions energy: -18.822 where: short stacking energy: -18.822 Base-Backbone interact. energy: -0.002 local terms energy: -22.037819 where: bonds (distance) C4'-P energy: -2.992 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -5.658 flat angles P-C4'-P energy: -3.292 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: 9, replica: 6 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -37.929775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.929775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.929775 (E_RNA) where: Base-Base interactions energy: -16.021 where: short stacking energy: -16.021 Base-Backbone interact. energy: -0.081 local terms energy: -21.827886 where: bonds (distance) C4'-P energy: -5.365 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -4.558 flat angles P-C4'-P energy: -3.129 tors. eta vs tors. theta energy: -3.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -29.690888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.690888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.690888 (E_RNA) where: Base-Base interactions energy: -10.182 where: short stacking energy: -10.182 Base-Backbone interact. energy: -0.038 local terms energy: -19.470298 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -3.020 flat angles P-C4'-P energy: -3.811 tors. eta vs tors. theta energy: -1.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -49.470730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.470730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.470730 (E_RNA) where: Base-Base interactions energy: -21.811 where: short stacking energy: -21.811 Base-Backbone interact. energy: -0.000 local terms energy: -27.659970 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.665 flat angles C4'-P-C4' energy: -5.369 flat angles P-C4'-P energy: -4.538 tors. eta vs tors. theta energy: -5.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -50.939208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.939208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.939208 (E_RNA) where: Base-Base interactions energy: -22.547 where: short stacking energy: -22.547 Base-Backbone interact. energy: -0.000 local terms energy: -28.391818 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -5.610 flat angles C4'-P-C4' energy: -6.233 flat angles P-C4'-P energy: -4.375 tors. eta vs tors. theta energy: -5.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -40.453846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.453846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.453846 (E_RNA) where: Base-Base interactions energy: -17.747 where: short stacking energy: -17.747 Base-Backbone interact. energy: -0.002 local terms energy: -22.705647 where: bonds (distance) C4'-P energy: -3.075 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -4.075 flat angles P-C4'-P energy: -5.507 tors. eta vs tors. theta energy: -3.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -45.771869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.771869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.771869 (E_RNA) where: Base-Base interactions energy: -18.043 where: short stacking energy: -18.043 Base-Backbone interact. energy: -0.000 local terms energy: -27.729095 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.361 flat angles C4'-P-C4' energy: -6.189 flat angles P-C4'-P energy: -4.550 tors. eta vs tors. theta energy: -5.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -35.182479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.182479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.182479 (E_RNA) where: Base-Base interactions energy: -11.207 where: short stacking energy: -5.097 Base-Backbone interact. energy: -0.169 local terms energy: -23.806608 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -5.557 flat angles P-C4'-P energy: -3.557 tors. eta vs tors. theta energy: -2.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -38.606304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.606304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.606304 (E_RNA) where: Base-Base interactions energy: -14.978 where: short stacking energy: -14.978 Base-Backbone interact. energy: 0.978 local terms energy: -24.606137 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -4.478 flat angles P-C4'-P energy: -4.304 tors. eta vs tors. theta energy: -4.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -34.121209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.121209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.121209 (E_RNA) where: Base-Base interactions energy: -13.316 where: short stacking energy: -13.316 Base-Backbone interact. energy: -0.033 local terms energy: -20.772397 where: bonds (distance) C4'-P energy: -3.555 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -4.963 flat angles P-C4'-P energy: -3.623 tors. eta vs tors. theta energy: -2.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -45.551335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.551335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.551335 (E_RNA) where: Base-Base interactions energy: -20.078 where: short stacking energy: -20.078 Base-Backbone interact. energy: -0.000 local terms energy: -25.472464 where: bonds (distance) C4'-P energy: -4.016 bonds (distance) P-C4' energy: -6.125 flat angles C4'-P-C4' energy: -5.873 flat angles P-C4'-P energy: -3.900 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: 2 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -29.326166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.326166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.326166 (E_RNA) where: Base-Base interactions energy: -7.899 where: short stacking energy: -7.899 Base-Backbone interact. energy: -0.011 local terms energy: -21.416016 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.555 flat angles P-C4'-P energy: -4.872 tors. eta vs tors. theta energy: 1.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -35.981612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.981612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.981612 (E_RNA) where: Base-Base interactions energy: -9.758 where: short stacking energy: -9.758 Base-Backbone interact. energy: -0.000 local terms energy: -26.223203 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -5.295 flat angles P-C4'-P energy: -5.503 tors. eta vs tors. theta energy: -3.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -46.521480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.521480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.521480 (E_RNA) where: Base-Base interactions energy: -22.201 where: short stacking energy: -22.201 Base-Backbone interact. energy: -0.061 local terms energy: -24.260076 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.532 flat angles P-C4'-P energy: -2.693 tors. eta vs tors. theta energy: -4.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -50.260611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.260611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.260611 (E_RNA) where: Base-Base interactions energy: -21.779 where: short stacking energy: -21.779 Base-Backbone interact. energy: -0.000 local terms energy: -28.481850 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.726 flat angles P-C4'-P energy: -4.380 tors. eta vs tors. theta energy: -5.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -44.750416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.750416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.750416 (E_RNA) where: Base-Base interactions energy: -19.390 where: short stacking energy: -13.717 Base-Backbone interact. energy: -0.047 local terms energy: -25.313920 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -5.612 flat angles P-C4'-P energy: -4.680 tors. eta vs tors. theta energy: -2.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -38.254049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.254049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.254049 (E_RNA) where: Base-Base interactions energy: -16.974 where: short stacking energy: -16.974 Base-Backbone interact. energy: -0.000 local terms energy: -21.279326 where: bonds (distance) C4'-P energy: -5.349 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.769 flat angles P-C4'-P energy: -2.210 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: 5, replica: 8 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -39.586272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.586272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.586272 (E_RNA) where: Base-Base interactions energy: -15.459 where: short stacking energy: -15.459 Base-Backbone interact. energy: -0.001 local terms energy: -24.126656 where: bonds (distance) C4'-P energy: -5.427 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.407 flat angles P-C4'-P energy: -4.394 tors. eta vs tors. theta energy: -1.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -35.126625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.126625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.126625 (E_RNA) where: Base-Base interactions energy: -19.998 where: short stacking energy: -6.054 Base-Backbone interact. energy: -0.040 local terms energy: -15.088483 where: bonds (distance) C4'-P energy: -4.587 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -3.961 flat angles P-C4'-P energy: -2.592 tors. eta vs tors. theta energy: 2.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -35.631013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.631013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.631013 (E_RNA) where: Base-Base interactions energy: -12.154 where: short stacking energy: -10.428 Base-Backbone interact. energy: -0.028 local terms energy: -23.448361 where: bonds (distance) C4'-P energy: -5.543 bonds (distance) P-C4' energy: -4.386 flat angles C4'-P-C4' energy: -6.713 flat angles P-C4'-P energy: -4.364 tors. eta vs tors. theta energy: -2.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -30.160464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.160464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.160464 (E_RNA) where: Base-Base interactions energy: -11.220 where: short stacking energy: -8.532 Base-Backbone interact. energy: -0.702 local terms energy: -18.238606 where: bonds (distance) C4'-P energy: -2.773 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -6.108 flat angles P-C4'-P energy: -3.741 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: 9, replica: 10 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -32.869563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.869563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.869563 (E_RNA) where: Base-Base interactions energy: -10.013 where: short stacking energy: -9.847 Base-Backbone interact. energy: -0.541 local terms energy: -22.314868 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -7.134 flat angles C4'-P-C4' energy: -3.479 flat angles P-C4'-P energy: -4.471 tors. eta vs tors. theta energy: -1.288 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: 10, replica: 6 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -36.804129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.804129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.804129 (E_RNA) where: Base-Base interactions energy: -14.119 where: short stacking energy: -14.119 Base-Backbone interact. energy: -0.002 local terms energy: -22.682676 where: bonds (distance) C4'-P energy: -4.053 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -4.872 flat angles P-C4'-P energy: -4.136 tors. eta vs tors. theta energy: -3.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -51.737538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.737538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.737538 (E_RNA) where: Base-Base interactions energy: -30.733 where: short stacking energy: -12.769 Base-Backbone interact. energy: -0.014 local terms energy: -20.991486 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -5.752 flat angles C4'-P-C4' energy: -4.562 flat angles P-C4'-P energy: -3.484 tors. eta vs tors. theta energy: -1.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -43.089245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.089245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.089245 (E_RNA) where: Base-Base interactions energy: -21.016 where: short stacking energy: -9.318 Base-Backbone interact. energy: -0.118 local terms energy: -21.955936 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -4.876 flat angles P-C4'-P energy: -5.353 tors. eta vs tors. theta energy: 1.038 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: 5 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -43.220927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.220927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.220927 (E_RNA) where: Base-Base interactions energy: -17.112 where: short stacking energy: -17.112 Base-Backbone interact. energy: -0.000 local terms energy: -26.108436 where: bonds (distance) C4'-P energy: -5.401 bonds (distance) P-C4' energy: -5.438 flat angles C4'-P-C4' energy: -5.107 flat angles P-C4'-P energy: -3.302 tors. eta vs tors. theta energy: -6.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -36.421987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.421987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.421987 (E_RNA) where: Base-Base interactions energy: -15.937 where: short stacking energy: -15.937 Base-Backbone interact. energy: -0.017 local terms energy: -20.467244 where: bonds (distance) C4'-P energy: -1.730 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -4.965 flat angles P-C4'-P energy: -4.729 tors. eta vs tors. theta energy: -2.605 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: 498 Temperature: 1.100000 Total energy: -44.560572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.560572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.560572 (E_RNA) where: Base-Base interactions energy: -17.350 where: short stacking energy: -17.350 Base-Backbone interact. energy: -1.016 local terms energy: -26.194428 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.570 flat angles P-C4'-P energy: -4.490 tors. eta vs tors. theta energy: -3.820 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: 8 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -46.088449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.088449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.088449 (E_RNA) where: Base-Base interactions energy: -20.226 where: short stacking energy: -20.226 Base-Backbone interact. energy: -0.000 local terms energy: -25.862843 where: bonds (distance) C4'-P energy: -3.559 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.014 flat angles P-C4'-P energy: -4.161 tors. eta vs tors. theta energy: -5.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -35.918672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.918672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.918672 (E_RNA) where: Base-Base interactions energy: -11.968 where: short stacking energy: -11.968 Base-Backbone interact. energy: -0.010 local terms energy: -23.940496 where: bonds (distance) C4'-P energy: -6.130 bonds (distance) P-C4' energy: -4.879 flat angles C4'-P-C4' energy: -6.096 flat angles P-C4'-P energy: -3.732 tors. eta vs tors. theta energy: -3.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -38.682432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.682432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.682432 (E_RNA) where: Base-Base interactions energy: -22.212 where: short stacking energy: -13.250 Base-Backbone interact. energy: -0.024 local terms energy: -16.446362 where: bonds (distance) C4'-P energy: -4.275 bonds (distance) P-C4' energy: -5.255 flat angles C4'-P-C4' energy: -3.913 flat angles P-C4'-P energy: -1.825 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: 9, replica: 6 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -37.619301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.619301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.619301 (E_RNA) where: Base-Base interactions energy: -13.264 where: short stacking energy: -13.264 Base-Backbone interact. energy: -0.030 local terms energy: -24.325414 where: bonds (distance) C4'-P energy: -3.725 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -5.991 flat angles P-C4'-P energy: -3.675 tors. eta vs tors. theta energy: -4.503 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: 10, replica: 10 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -35.438978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.438978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.438978 (E_RNA) where: Base-Base interactions energy: -20.795 where: short stacking energy: -5.693 Base-Backbone interact. energy: -0.216 local terms energy: -14.428577 where: bonds (distance) C4'-P energy: -5.161 bonds (distance) P-C4' energy: -4.147 flat angles C4'-P-C4' energy: -2.776 flat angles P-C4'-P energy: -1.271 tors. eta vs tors. theta energy: -1.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -57.046055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.046055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.046055 (E_RNA) where: Base-Base interactions energy: -32.935 where: short stacking energy: -15.061 Base-Backbone interact. energy: -0.007 local terms energy: -24.103749 where: bonds (distance) C4'-P energy: -4.673 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -5.927 flat angles P-C4'-P energy: -4.114 tors. eta vs tors. theta energy: -3.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -50.517469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.517469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.517469 (E_RNA) where: Base-Base interactions energy: -24.529 where: short stacking energy: -24.529 Base-Backbone interact. energy: -0.000 local terms energy: -25.987997 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.072 flat angles P-C4'-P energy: -3.972 tors. eta vs tors. theta energy: -5.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -42.347839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.347839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.347839 (E_RNA) where: Base-Base interactions energy: -18.307 where: short stacking energy: -18.307 Base-Backbone interact. energy: -0.000 local terms energy: -24.040503 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -5.981 flat angles C4'-P-C4' energy: -6.005 flat angles P-C4'-P energy: -3.608 tors. eta vs tors. theta energy: -3.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -46.280092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.280092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.280092 (E_RNA) where: Base-Base interactions energy: -20.790 where: short stacking energy: -20.790 Base-Backbone interact. energy: -0.003 local terms energy: -25.487384 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -4.742 flat angles P-C4'-P energy: -4.568 tors. eta vs tors. theta energy: -3.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -42.637697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.637697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.637697 (E_RNA) where: Base-Base interactions energy: -18.826 where: short stacking energy: -14.792 Base-Backbone interact. energy: -0.000 local terms energy: -23.811817 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -4.950 flat angles P-C4'-P energy: -4.206 tors. eta vs tors. theta energy: -3.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -36.225665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.225665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.225665 (E_RNA) where: Base-Base interactions energy: -15.215 where: short stacking energy: -15.215 Base-Backbone interact. energy: -0.000 local terms energy: -21.010147 where: bonds (distance) C4'-P energy: -5.368 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -4.792 flat angles P-C4'-P energy: -1.641 tors. eta vs tors. theta energy: -2.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -40.522206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.522206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.522206 (E_RNA) where: Base-Base interactions energy: -17.794 where: short stacking energy: -17.794 Base-Backbone interact. energy: -0.000 local terms energy: -22.728405 where: bonds (distance) C4'-P energy: -3.999 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.137 flat angles P-C4'-P energy: -2.687 tors. eta vs tors. theta energy: -3.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -38.562905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.562905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.562905 (E_RNA) where: Base-Base interactions energy: -13.364 where: short stacking energy: -13.364 Base-Backbone interact. energy: -0.000 local terms energy: -25.199048 where: bonds (distance) C4'-P energy: -4.967 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -6.097 flat angles P-C4'-P energy: -3.693 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: 9, replica: 7 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -32.730630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.730630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.730630 (E_RNA) where: Base-Base interactions energy: -11.682 where: short stacking energy: -11.682 Base-Backbone interact. energy: -0.017 local terms energy: -21.031245 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.577 flat angles P-C4'-P energy: -4.271 tors. eta vs tors. theta energy: 0.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -31.746971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.746971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.746971 (E_RNA) where: Base-Base interactions energy: -12.382 where: short stacking energy: -12.382 Base-Backbone interact. energy: -0.001 local terms energy: -19.364259 where: bonds (distance) C4'-P energy: -4.285 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -5.225 flat angles P-C4'-P energy: -2.450 tors. eta vs tors. theta energy: -0.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -47.253949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.253949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.253949 (E_RNA) where: Base-Base interactions energy: -20.874 where: short stacking energy: -20.874 Base-Backbone interact. energy: -0.000 local terms energy: -26.380024 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -5.553 flat angles P-C4'-P energy: -4.497 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: 2, replica: 4 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -53.340811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.340811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.340811 (E_RNA) where: Base-Base interactions energy: -24.434 where: short stacking energy: -24.434 Base-Backbone interact. energy: -0.000 local terms energy: -28.906334 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.449 flat angles P-C4'-P energy: -4.415 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: 3, replica: 3 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -50.493565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.493565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.493565 (E_RNA) where: Base-Base interactions energy: -24.285 where: short stacking energy: -24.285 Base-Backbone interact. energy: -0.000 local terms energy: -26.208463 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -4.815 flat angles C4'-P-C4' energy: -5.379 flat angles P-C4'-P energy: -4.526 tors. eta vs tors. theta energy: -5.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -46.624194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.624194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.624194 (E_RNA) where: Base-Base interactions energy: -21.823 where: short stacking energy: -21.823 Base-Backbone interact. energy: -0.001 local terms energy: -24.800010 where: bonds (distance) C4'-P energy: -5.096 bonds (distance) P-C4' energy: -5.763 flat angles C4'-P-C4' energy: -5.480 flat angles P-C4'-P energy: -3.915 tors. eta vs tors. theta energy: -4.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -42.283492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.283492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.283492 (E_RNA) where: Base-Base interactions energy: -17.543 where: short stacking energy: -17.543 Base-Backbone interact. energy: -0.000 local terms energy: -24.740184 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -5.022 flat angles C4'-P-C4' energy: -6.045 flat angles P-C4'-P energy: -4.483 tors. eta vs tors. theta energy: -3.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -43.556097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.556097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.556097 (E_RNA) where: Base-Base interactions energy: -21.607 where: short stacking energy: -8.899 Base-Backbone interact. energy: -0.071 local terms energy: -21.878094 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -3.890 flat angles P-C4'-P energy: -4.912 tors. eta vs tors. theta energy: -1.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -33.406881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.406881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.406881 (E_RNA) where: Base-Base interactions energy: -10.675 where: short stacking energy: -10.675 Base-Backbone interact. energy: -0.000 local terms energy: -22.731787 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.405 flat angles P-C4'-P energy: -3.591 tors. eta vs tors. theta energy: -2.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -32.259093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.259093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.259093 (E_RNA) where: Base-Base interactions energy: -11.904 where: short stacking energy: -11.904 Base-Backbone interact. energy: -0.016 local terms energy: -20.339204 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -2.346 flat angles C4'-P-C4' energy: -5.605 flat angles P-C4'-P energy: -5.410 tors. eta vs tors. theta energy: -1.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -32.202967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.202967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.202967 (E_RNA) where: Base-Base interactions energy: -12.112 where: short stacking energy: -12.112 Base-Backbone interact. energy: -0.020 local terms energy: -20.071020 where: bonds (distance) C4'-P energy: -5.365 bonds (distance) P-C4' energy: -5.065 flat angles C4'-P-C4' energy: -4.630 flat angles P-C4'-P energy: -3.957 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: 7 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -34.510253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.510253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.510253 (E_RNA) where: Base-Base interactions energy: -16.341 where: short stacking energy: -10.288 Base-Backbone interact. energy: -0.014 local terms energy: -18.155434 where: bonds (distance) C4'-P energy: -5.303 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -5.721 flat angles P-C4'-P energy: -2.064 tors. eta vs tors. theta energy: 0.051 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) out arg RESULTS//1/Hackaton-e9304ce1_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: 5 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -45.088097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.088097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.088097 (E_RNA) where: Base-Base interactions energy: -22.693 where: short stacking energy: -19.958 Base-Backbone interact. energy: -0.023 local terms energy: -22.372616 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -4.755 flat angles C4'-P-C4' energy: -5.237 flat angles P-C4'-P energy: -4.407 tors. eta vs tors. theta energy: -2.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -44.584995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.584995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.584995 (E_RNA) where: Base-Base interactions energy: -18.220 where: short stacking energy: -18.220 Base-Backbone interact. energy: -0.100 local terms energy: -26.265026 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -5.920 flat angles C4'-P-C4' energy: -5.901 flat angles P-C4'-P energy: -4.708 tors. eta vs tors. theta energy: -4.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -41.882007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.882007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.882007 (E_RNA) where: Base-Base interactions energy: -19.281 where: short stacking energy: -19.281 Base-Backbone interact. energy: -0.093 local terms energy: -22.508235 where: bonds (distance) C4'-P energy: -2.624 bonds (distance) P-C4' energy: -6.897 flat angles C4'-P-C4' energy: -4.780 flat angles P-C4'-P energy: -4.166 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: 4, replica: 2 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -41.593538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.593538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.593538 (E_RNA) where: Base-Base interactions energy: -18.309 where: short stacking energy: -18.309 Base-Backbone interact. energy: -0.012 local terms energy: -23.273137 where: bonds (distance) C4'-P energy: -3.973 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -4.206 flat angles P-C4'-P energy: -4.578 tors. eta vs tors. theta energy: -4.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -43.070084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.070084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.070084 (E_RNA) where: Base-Base interactions energy: -18.519 where: short stacking energy: -18.519 Base-Backbone interact. energy: -0.000 local terms energy: -24.550751 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -5.835 flat angles P-C4'-P energy: -4.105 tors. eta vs tors. theta energy: -3.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -41.097996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.097996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.097996 (E_RNA) where: Base-Base interactions energy: -20.832 where: short stacking energy: -9.220 Base-Backbone interact. energy: -0.055 local terms energy: -20.211184 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -4.503 flat angles P-C4'-P energy: -3.070 tors. eta vs tors. theta energy: -0.271 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: 7, replica: 9 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -38.976953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.976953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.976953 (E_RNA) where: Base-Base interactions energy: -17.260 where: short stacking energy: -17.260 Base-Backbone interact. energy: -0.003 local terms energy: -21.714393 where: bonds (distance) C4'-P energy: -3.333 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.438 flat angles P-C4'-P energy: -4.215 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: 10 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -40.863237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.863237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.863237 (E_RNA) where: Base-Base interactions energy: -15.500 where: short stacking energy: -15.500 Base-Backbone interact. energy: -0.001 local terms energy: -25.363060 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -5.921 flat angles P-C4'-P energy: -4.955 tors. eta vs tors. theta energy: -1.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -32.093408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.093408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.093408 (E_RNA) where: Base-Base interactions energy: -10.836 where: short stacking energy: -3.428 Base-Backbone interact. energy: -0.047 local terms energy: -21.209800 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -6.358 flat angles C4'-P-C4' energy: -5.603 flat angles P-C4'-P energy: -4.912 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: 10, replica: 7 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -30.301400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.301400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.301400 (E_RNA) where: Base-Base interactions energy: -10.185 where: short stacking energy: -10.185 Base-Backbone interact. energy: -0.002 local terms energy: -20.114572 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -4.871 flat angles P-C4'-P energy: -3.744 tors. eta vs tors. theta energy: 1.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) replica 3 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 8389491 moves confirmed later: 10636895 all moves confirmed: 19026386 percent of confirmed moves: 2.378298 current total energy: -16.783603 recalc. total energy: -16.783603 replica 5 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 8335062 moves confirmed later: 10538428 all moves confirmed: 18873490 percent of confirmed moves: 2.359186 current total energy: -9.064472 recalc. total energy: -9.064472 replica 2 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 8434138 moves confirmed later: 10711544 all moves confirmed: 19145682 percent of confirmed moves: 2.393210 current total energy: -31.379370 recalc. total energy: -31.379370 replica 4 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 8334932 moves confirmed later: 10543154 all moves confirmed: 18878086 percent of confirmed moves: 2.359761 current total energy: -19.414227 recalc. total energy: -19.414227 replica 1 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 8314484 moves confirmed later: 10522591 all moves confirmed: 18837075 percent of confirmed moves: 2.354634 current total energy: -31.390917 recalc. total energy: -31.390917 replica 6 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 8387295 moves confirmed later: 10652033 all moves confirmed: 19039328 percent of confirmed moves: 2.379916 current total energy: -18.925019 recalc. total energy: -18.925019 replica 9 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 8205324 moves confirmed later: 10355364 all moves confirmed: 18560688 percent of confirmed moves: 2.320086 current total energy: -27.239287 recalc. total energy: -27.239287 replica 10 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 8329495 moves confirmed later: 10532835 all moves confirmed: 18862330 percent of confirmed moves: 2.357791 current total energy: -9.110158 recalc. total energy: -9.110158 replica 7 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 8413348 moves confirmed later: 10680576 all moves confirmed: 19093924 percent of confirmed moves: 2.386741 current total energy: -10.783540 recalc. total energy: -10.783540 replica 8 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 8222750 moves confirmed later: 10415661 all moves confirmed: 18638411 percent of confirmed moves: 2.329801 current total energy: -6.268240 recalc. total energy: -6.268240 Time of doing 8000000 iterations: 551.723 seconds